SCHEMBL27899

SCHEMBL27899

c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.39
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP1B1 Q16678 2/20 0.35
CYP1A1 P04798 1/20 0.35
DRD1 P21728 3/20 0.35
BAD Q92934 1/20 0.34
PTGS2 P35354 2/20 0.33
MAOB P27338 2/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
DRD2 P14416 1/20 0.32
AOC3 Q16853 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2076685 1.00 ABCG2 (0.39) ABCG2CYP3A4TDP1TXNRD1TXNRD3
SCHEMBL29352284 1.00 ABCG2 (0.39) ABCG2CYP3A4TDP1TXNRD1TXNRD3
SCHEMBL6904608 0.98 ABCG2 (0.38) ABCG2CYP3A4TDP1TXNRD1TXNRD3
SCHEMBL16449681 0.91 NQO2 (0.34) ABCG2CYP3A4TDP1TXNRD1TXNRD3
Acetic Acid SCHEMBL29761322 0.91 NPC1 (0.35) CYP3A4TDP1TXNRD1TXNRD3TXNRD2
SCHEMBL17758851 0.89 DRD1 (0.32) ABCG2TXNRD1TXNRD3TXNRD2CYP1A2
SCHEMBL13695077 0.89 AOC3 (0.37) ABCG2TDP1TXNRD1TXNRD3TXNRD2
SCHEMBL29365010 0.86 ITGB2 (0.39) CYP3A4TDP1DRD1MAOBPKM
SCHEMBL1203836 0.86 ITGB2 (0.39) CYP3A4TDP1DRD1MAOBPKM
SCHEMBL5684662 0.85 ABCG2 (0.38) ABCG2CYP3A4TDP1TXNRD1TXNRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710422-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA CROP PROTECTION AG (CH) 2026-01-07 EP claimed
US-11939333-B2 Solid forms of isoquinolinones, and process of making, composition comprising, and methods of using the same INFINITY PHARMACEUTICALS, INC. (US) 2024-03-26 US claimed
WO-2023114926-A1 GAS PHASE PROCESS FOR ACRYLATE PRODUCTION FROM ETHYLENE AND CARBON DIOXIDE CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2023-06-22 WO claimed
US-20230192586-A1 GAS PHASE PROCESS FOR ACRYLATE PRODUCTION FROM ETHYLENE AND CARBON DIOXIDE CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2023-06-22 US claimed
CN-115746037-A Synthetic method of alpha-halogenated borate compound and product thereof 同济大学 2023-03-07 CN claimed
US-11530177-B2 Formation of α,β-unsaturated carboxylic acids and salts thereof from metalalactones and anionic polyelectrolytes CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2022-12-20 US claimed
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist Química Sintética, S.A. (ES) 2022-10-11 US claimed
EP-2964384-B1 AQUEOUS HYDROGENATION REACTIONS USING WATER-INSOLUBLE RUTHENIUM CATALYST COMPOSITION DUDECHEM GMBH (DE) 2022-05-04 EP claimed
US-20220064375-A1 Polyesters and Polyketoesters from Carbonylative Terpolymerization of enols, Methods to Produce, Blends, and Articles Therefrom REGENTS OF THE UNIVERSITY OF MINNESOTA 2022-03-03 US claimed
US-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2022-02-03 US claimed
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP claimed
US-8563752-B2 Process for the production of carnitine by cycloaddition LONZA LTD. (CH) 2013-10-22 US claimed
EP-2634172-A1 METHOD FOR PRODUCING 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2013-09-04 EP claimed
US-20130217893-A1 METHOD FOR PRODUCING 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US claimed
EP-2531486-A2 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB Pharma GmbH (DE) 2012-12-12 EP claimed
US-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives UCB PHARMA, S.A. (BE) 2012-11-29 US claimed
WO-2011095539-A2 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB PHARMA GMBH (DE) 2011-08-11 WO claimed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US claimed
US-20080058522-A1 Process For The Preparation Of Enantiomerically Enriched Beta Amino Acid Derivatives MERCK SHARP & DOHME LLC 2008-03-06 US claimed
EP-1650207-B1 Process for producing optically active 3-quinuclidinols TAKASAGO PERFUMERY CO LTD (JP) 2007-06-27 EP claimed

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

For each of this compound's patents that has machine-readable text (8 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-20120302790-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives AADAT, AANAT, ASNS ABCG2 1997/4885CYP3A4 101/4885TDP1 2264/4885
US-20080058522-A1 Process For The Preparation Of Enantiomerically Enriched Beta Amino Acid Derivatives ATIC, SLC1A5, SLC7A1 ABCG2 2335/4885CYP3A4 2844/4885TDP1 4047/4885
US-20130217893-A1 METHOD FOR PRODUCING 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE PTGS1, PTGER1, HPD ABCG2 3102/4885CYP3A4 49/4885TDP1 1760/4885
US-11530177-B2 Formation of α,β-unsaturated carboxylic acids and salts thereof from metalalactones and anionic polyelectrolytes ME1, ACSL1, ALOX12 ABCG2 3455/4885CYP3A4 2100/4885TDP1 3846/4885
US-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST S1PR1, S1PR4, S1PR3 ABCG2 2639/4885CYP3A4 1653/4885TDP1 2234/4885
US-20230192586-A1 GAS PHASE PROCESS FOR ACRYLATE PRODUCTION FROM ETHYLENE AND CARBON DIOXIDE MSMO1, ALOX15, ALOX12 ABCG2 4434/4885CYP3A4 1550/4885TDP1 2245/4885
US-11939333-B2 Solid forms of isoquinolinones, and process of making, composition comprising, and methods of using the same PIK3CA, PIK3C2A, PIK3CD ABCG2 215/4885CYP3A4 288/4885TDP1 344/4885
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist S1PR1, S1PR4, S1PR3 ABCG2 2639/4885CYP3A4 1653/4885TDP1 2234/4885

“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.