SCHEMBL31589

SCHEMBL31589

CC(CC(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
SCHEMBL10324073 1.00 CYP3A4 (0.39) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL28532 1.00 CYP3A4 (0.39) CYP3A4TDP1TAAR1SLC6A2SLC6A3
SCHEMBL30277 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 414 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856738-B1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST QUIM SINTETICA S A (ES) 2025-03-19 EP claimed
US-12129249-B2 Method for producing optically active compound DAY ONE BIOPHARMACEUTICALS, INC. (US) 2024-10-29 US claimed
EP-4406609-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Day One Biopharmaceuticals, Inc. (US) 2024-07-31 EP claimed
WO-2024108774-A1 METAL-CATALYZED DOUBLE HYDROBORATION OF NITROGEN HETEROCYCLICS GUANGDONG TECHNION-ISRAEL INSTITUTE OF TECHNOLOGY (CN) 2024-05-30 WO claimed
CN-117447464-A Method for producing optically active compound 首日生物制药公司 2024-01-26 CN claimed
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist Química Sintética, S.A. (ES) 2022-10-11 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
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US claimed
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 EP claimed
EP-3856738-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2021-08-04 EP claimed
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-08-01 US 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-1735269-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED BETA AMINO ACID DERIVATIVES Merck & Co., Inc. (US) 2006-12-27 EP claimed
WO-2006030202-A1 “HETEROGENISED” HOMOGENEOUS CATALYSTS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2006-03-23 WO claimed
WO-2005097733-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED BETA AMINO ACID DERIVATIVES MERCK & CO., INC. (US) 2005-10-20 WO claimed
US-6583312-B2 Catalytic hydrogenation of trimethylpyruvic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-06-24 US claimed
US-20020035271-A1 Process for preparing oprtically active trimethyllactic acid and its ester BAYER AKTIENGESELLSCHAFT (DE) 2002-03-21 US claimed
EP-1160237-A2 Method for the preparation of optically active trimethyllactic acid and its esters BAYER AG (DE) 2001-12-05 EP claimed
US-5627256-A STABILIZER BAYER AG (DE) 1997-05-06 US 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 (7 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-20080058522-A1 Process For The Preparation Of Enantiomerically Enriched Beta Amino Acid Derivatives ATIC, SLC1A5, SLC7A1 CYP3A4 2844/4885TDP1 4047/4885TAAR1 1231/4885
US-20220033365-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST S1PR1, S1PR4, S1PR3 CYP3A4 1653/4885TDP1 2234/4885TAAR1 241/4885
US-20020035271-A1 Process for preparing oprtically active trimethyllactic acid and its ester ME1, OPRK1, OPRM1 CYP3A4 57/4885TDP1 4552/4885TAAR1 3235/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR CYP3A4 608/4885TDP1 4637/4885TAAR1 4102/4885
US-11465977-B2 Process for the preparation of sphingosine-1-phosphate receptor agonist S1PR1, S1PR4, S1PR3 CYP3A4 1653/4885TDP1 2234/4885TAAR1 241/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM CYP3A4 2504/4885TDP1 3532/4885TAAR1 1186/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR CYP3A4 608/4885TDP1 4637/4885TAAR1 4102/4885

“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.