SCHEMBL30277

SCHEMBL30277

C[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 7/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TRPA1 O75762 3/20 0.34
CYP2D6 P10635 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CACNA1F O60840 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL6543955 1.00 CYP3A4 (0.39) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL31589 1.00 CYP3A4 (0.39) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL10324073 1.00 CYP3A4 (0.39) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL28532 1.00 CYP3A4 (0.39) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL15978095 0.91 CYP3A4 (0.37) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL14067502 0.87 CYP3A4 (0.41) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL9309105 0.87 CYP3A4 (0.41) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL9308091 0.87 CYP3A4 (0.41) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL22088075 0.87 CYP3A4 (0.33) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL9701371 0.85 CYP3A4 (0.39) CYP3A4TDP1TAAR1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209375-A Preparation method of polysubstituted chiral adipic acid compound containing quaternary carbon center 四川大学 2023-12-12 CN claimed
CN-115746037-A Synthetic method of alpha-halogenated borate compound and product thereof 同济大学 2023-03-07 CN claimed
CN-113087742-B Phosphine chiral center containing compound, organic transition metal complex and preparation method thereof 中国科学技术大学 2022-05-13 CN claimed
CN-111718250-B Method for preparing R-citronellal 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-114262345-A Synthesis method of novel phosphine-centered chiral compound 中国科学技术大学 2022-04-01 CN claimed
US-7638628-B2 for the reduction of ketones to alcohols via hydrogen transfer; reduction catalysts; hydrogenation catalysts UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2009-12-29 US claimed
US-20080249308-A1 Complexes of Ruthenium with 2-(Aminomethyl)Pyridines and Phosphines, their Preparation and Use as Catalysts UNIVERSITA'DEGLI STUDI DI UDINE (IT) 2008-10-09 US claimed
EP-1747224-B1 COMPLEXES OF RUTHENIUM WITH 2-(AMINOMETHYL)PYRIDINES AND PHOSPHINES, THEIR PREPARATION AND USE AS CATALYSTS UNIV DEGLI STUDI UDINE (IT) 2008-07-16 EP claimed
EP-1801093-A1 Process for the Preparation of enantiomer-enriched 2-Alkoxy-3-Phenyl-Propionic Acid Saltigo GmbH (DE) 2007-06-27 EP claimed
EP-1747224-A1 COMPLEXES OF RUTHENIUM WITH 2-(AMINOMETHYL)PYRIDINES AND PHOSPHINES, THEIR PREPARATION AND USE AS CATALYSTS Universita' Degli Studi di Udine (IT) 2007-01-31 EP claimed
WO-2005105819-A1 COMPLEXES OF RUTHENIUM WITH 2-(AMINOMETHYL)PYRIDINES AND PHOSPHINES, THEIR PREPARATION AND USE AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2005-11-10 WO claimed
EP-0631571-B1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES DU PONT (US) 1997-06-04 EP claimed
US-5426223-A Hydrogenation of n-acyl hydrazones in presence of catalyst comprising complex pf transition metal bonded to phosphine ligands E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-06-20 US claimed
US-5250731-A Asymmetric hydrogenation of N-acylhydrazones to N-acylhydrazines in presence of chiral phospholane complex E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-05 US claimed
WO-1993019040-A1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-30 WO claimed
US-20260138946-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CURIA SPAIN S A U (ES) 2026-05-21 US disclosed
US-20260049079-A1 CHIRAL SYNTHESIS OF FUSED BICYCLIC RAF INHIBITORS JAZZ PHARMACEUTICALS IRELAND LTD (IE) 2026-02-19 US disclosed
EP-0631571-A1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES. DU PONT (US) 1995-01-04 EP disclosed
US-5250731-A Asymmetric hydrogenation of N-acylhydrazones to N-acylhydrazines in presence of chiral phospholane complex E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-05 US disclosed
WO-1993019040-A1 PREPARATION OF OPTICALLY ACTIVE HYDRAZINES AND AMINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-30 WO 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 (3 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-20260138946-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB JAK1, JAK3, JAK2 CYP3A4 2751/4885TDP1 4291/4885TAAR1 2009/4885
US-20080249308-A1 Complexes of Ruthenium with 2-(Aminomethyl)Pyridines and Phosphines, their Preparation and Use as Catalysts ADH5, PDK2, PDK1 CYP3A4 425/4885TDP1 1771/4885TAAR1 106/4885
US-20260049079-A1 CHIRAL SYNTHESIS OF FUSED BICYCLIC RAF INHIBITORS BRAF, HRAS, RAF1 CYP3A4 2184/4885TDP1 597/4885TAAR1 3317/4885

“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.