SCHEMBL3136653

SCHEMBL3136653

c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.46
DRD1 P21728 2/20 0.40
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
FGFR1 P11362 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAOB P27338 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17426095 0.91 ABCG2 (0.38) ABCG2DRD1CYP3A4TDP1PKM
SCHEMBL3132985 0.89 ITGB2 (0.46) ABCG2DRD1CYP3A4TDP1PKM
SCHEMBL4837678 0.86 DRD1 (0.38) ABCG2DRD1CYP3A4TDP1ESR1
SCHEMBL3136613 0.86 ITGB2 (0.39) ABCG2DRD1CYP3A4TDP1ESR1
SCHEMBL372145 0.86 ITGB2 (0.39) ABCG2DRD1CYP3A4TDP1ESR1
SCHEMBL13243539 0.84 ITGB2 (0.38) DRD1CYP3A4TDP1ITGB2ICAM1
SCHEMBL20351197 0.84 ITGB2 (0.38) DRD1CYP3A4TDP1ITGB2ICAM1
SCHEMBL3133241 0.84 ITGB2 (0.38) DRD1CYP3A4TDP1ITGB2ICAM1
SCHEMBL29352284 0.79 ABCG2 (0.39) ABCG2DRD1CYP3A4TDP1PKM
SCHEMBL2076685 0.79 ABCG2 (0.39) ABCG2DRD1CYP3A4TDP1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ZHEJIANG UNIVERSITY (CN) 2022-12-20 US disclosed
US-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds INCYTE HOLDINGS CORPORATION 2021-08-19 US disclosed
US-20210163514-A1 COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF ZHEJIANG UNIVERSITY (CN) 2021-06-03 US disclosed
US-10975085-B2 Process for preparing a composition comprising an enantiomeric excess of greater than or equal to 90% of the (R)-enantiomer of a compound of formula III INCYTE HOLDINGS CORPORATION (US) 2021-04-13 US disclosed
US-10364248-B2 Processes for preparing 4-chloro-7H-pyrrolo[2,3-d]pyrimidine INCYTE CORPORATION (US) 2019-07-30 US disclosed
US-9908888-B2 Processes for preparing pyrazolyl-substituted pyrrolo[2,3-d]pyrimidines INCYTE CORPORATION (US) 2018-03-06 US disclosed
US-9908888-B2 Processes for preparing pyrazolyl-substituted pyrrolo[2,3-d]pyrimidines INCYTE CORPORATION (US) 2018-03-06 US disclosed
EP-3272738-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS Incyte Holdings Corporation (US) 2018-01-24 EP disclosed
EP-2398774-B1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE HOLDINGS CORP (US) 2017-07-05 EP disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
US-7541474-B2 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2009-06-02 US disclosed
US-7541474-B2 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2009-06-02 US disclosed
WO-2008131932-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS LONZA AG (CH) 2008-11-06 WO disclosed
EP-1988079-A1 Process for the preparation of optically active ethenylphenyl-alcohols LONZA AG (CH) 2008-11-05 EP disclosed
WO-2008077560-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 2-AMINO-1-PHENYLETHANOLS LONZA AG (CH) 2008-07-03 WO disclosed
WO-2007061600-A1 CATALYZED PROCESS OF MAKING C-5-SUBSTITUTED HETEROCYCLIC INHIBITORS OF 11ß-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN, INC. (US) 2007-05-31 WO disclosed
US-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-05-31 US disclosed
US-20070117985-A1 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11beta-hydroxy steroid dehydrogenase type 1 AMGEN, INC. 2007-05-24 US disclosed
US-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-12-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY ABCG2 1252/4885DRD1 2153/4885CYP3A4 1057/4885
US-10975085-B2 Process for preparing a composition comprising an enantiomeric excess of greater than or equal to 90% of the (R)-enantiomer of a compound of formula III JAK1, JAK3, JAK2 ABCG2 3302/4885DRD1 4303/4885CYP3A4 586/4885
US-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds JAK3, JAK1, JAK2 ABCG2 2224/4885DRD1 3110/4885CYP3A4 1108/4885
US-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation COXFA4L2, CYP2F1, ABCG2 ABCG2 3/4885DRD1 1816/4885CYP3A4 57/4885
US-10364248-B2 Processes for preparing 4-chloro-7H-pyrrolo[2,3-d]pyrimidine JAK1, JAK3, JAK2 ABCG2 2272/4885DRD1 2370/4885CYP3A4 823/4885
US-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ORMDL3, TALDO1, TAC3 ABCG2 170/4885DRD1 271/4885CYP3A4 1674/4885
US-20070117985-A1 Catalyzed process of making C-5-substituted heterocyclic inhibitors of 11beta-hydroxy steroid dehydrogenase type 1 SRD5A1, HSD11B1, HSD3B1 ABCG2 1802/4885DRD1 407/4885CYP3A4 98/4885
US-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof LPAR4, LPAR2, LPAR5 ABCG2 3465/4885DRD1 4853/4885CYP3A4 4624/4885
US-20210163514-A1 COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF ORMDL3, TALDO1, TAC3 ABCG2 160/4885DRD1 265/4885CYP3A4 1623/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.