SCHEMBL197486

SCHEMBL197486

Clc1cccc(P(c2cccc(Cl)c2)c2cccc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
PNMT P11086 2/20 0.41
CHRM5 P08912 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 2/20 0.37
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
ALOX5 P09917 1/20 0.37
MGLL Q99685 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
HTR3B O95264 1/20 0.37
PLAU P00749 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL29851249 1.00 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4TDP1PNMT
SCHEMBL9854467 0.93 TDP1 (0.57) ALDH1A1TSHRCYP3A4TDP1PNMT
SCHEMBL9624166 0.85 MEN1 (0.41) ALDH1A1TSHRCYP3A4TDP1MAPT
SCHEMBL9624369 0.82 CYP19A1 (0.47) ALDH1A1CYP3A4MEN1HTTKMT2A
SCHEMBL31561762 0.81 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4TDP1PNMT
SCHEMBL2155168 0.81 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4TDP1PNMT
SCHEMBL11004135 0.80 SIGMAR1 (0.42) CYP3A4TDP1PNMTTAAR1MAPT
SCHEMBL2154288 0.79 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4TDP1PNMT
SCHEMBL11454863 0.77 PNMT (0.41) ALDH1A1TSHRCYP3A4TDP1PNMT
SCHEMBL5596286 0.77 TSHR (0.42) ALDH1A1TSHRCYP3A4TDP1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143707-B Spiral-2 (3H) -furanone molecule and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2025-01-28 CN claimed
CN-119241533-A Preparation method of tetrahydro-gamma-carboline 湖北科技学院 2025-01-03 CN claimed
CN-119143707-A Spiral-2 (3H) -furanone molecule and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2024-12-17 CN claimed
CN-119100969-A Preparation method of C2-site alkylated indole compound 湖北科技学院 2024-12-10 CN claimed
US-12090473-B2 Catalyst compositions and hydroformylation processes DOW TECHNOLOGY INVESTMENTS LLC (US) 2024-09-17 US claimed
WO-2022244969-A1 METHOD FOR PREPARING METHYLENE LACTONE-BASED COMPOUND 주식회사 자경케미칼 2022-11-24 WO claimed
CN-110359097-B Method for obtaining On-DNA aromatic hydrocarbon compound through Suzuki coupling reaction in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-09-20 CN claimed
CN-110331447-B Method for preparing On-DNA aryl alkyne compound in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-05-27 CN claimed
CN-110079867-B On-DNA wittig reaction method in DNA coding compound library and prepared On-DNA olefin compound 上海药明康德新药开发有限公司 2022-01-04 CN claimed
CN-112830905-A Benzo [ f ] indeno [1,2-d ] [1,2] thiazepine 5-oxy series compounds having a quaternary ring system structure 江西师范大学 2021-05-25 CN claimed
WO-1998007724-A1 PROCESS FOR THE PREPARATION OF 7-ALKOXYALKYL-1,2,4-TRIAZOLO[1,5-A] PYRIMIDINE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1998-02-26 WO claimed
EP-0449296-B1 Palladium catalyzed carboalkoxylation of butadiene DU PONT (US) 1994-09-14 EP claimed
EP-0449296-A1 Palladium catalyzed carboalkoxylation of butadiene E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-02 EP claimed
EP-0194707-B1 PROCESS FOR THE HYDROCARBOXYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-18 EP claimed
EP-0271145-B1 PROCESS FOR THE CARBONYLATION OF CONJUGATED DIENES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-21 EP claimed
US-5026901-A Producing alkyl pentenoate E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-25 US claimed
US-4824817-A Catalyst for the carbonylation of conjugated dienes SHELL OIL COMPANY (US) 1989-04-25 US claimed
EP-0271145-A2 Process for the carbonylation of conjugated dienes SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-15 EP claimed
US-4731202-A Process for the hydrocarboxylation of acetylenically unsaturated compounds SHELL OIL COMPANY (US) 1988-03-15 US claimed
EP-0194707-A2 Process for the hydrocarboxylation of acetylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-09-17 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 (1 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-12090473-B2 Catalyst compositions and hydroformylation processes NUDT1, DHPS, NUDT5 ALDH1A1 1201/4885TSHR 4279/4885CYP3A4 1072/4885

“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.