SCHEMBL321080

SCHEMBL321080

Cc1cc(Cl)c(C(=O)O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ DPP4 P27487 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HCAR1 Q9BXC0 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TTR P02766 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39

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
SCHEMBL9737304 0.89 ALDH1A1 (0.52) TPMTALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL21939457 0.83 ALDH1A1 (0.39) TPMTALDH1A1MAPK1SMN1; SMN2DPP4
SCHEMBL11429956 0.82 ALDH1A1 (0.38) TPMTALDH1A1MAPK1SMN1; SMN2DPP4
SCHEMBL7270831 0.80 ALDH1A1 (0.52) TPMTALDH1A1KDM4ELMNAGPR35
SCHEMBL14339400 0.80 KMT2A (0.42) TPMTALDH1A1SMN1; SMN2LMNAGPR35
SCHEMBL5781652 0.80 DPP4 (0.43) TPMTALDH1A1MAPK1SMN1; SMN2DPP4
SCHEMBL111202 0.79 AKR1C4 (0.54) TPMTALDH1A1SMN1; SMN2DPP4HSD17B10
SCHEMBL8827322 0.79 DPP4 (0.46) TPMTALDH1A1MAPK1SMN1; SMN2DPP4
SCHEMBL21939510 0.79 PTPN1 (0.51) TPMTALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL7265798 0.78 POLB (0.48) TPMTALDH1A1SMN1; SMN2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859549-A Method for synthesizing 2,6-dichloro p-toluic acid 大连信科化工有限公司 2016-08-17 — — CN claimed
CN-118666664-A Method for preparing p-methylbenzoic acid by catalyzing carbon dioxide and toluene 中国石油化工股份有限公司 2024-09-20 — — CN disclosed
CN-113698287-B Method for preparing p-methylbenzoic acid by catalyzing carbon dioxide and toluene 中国石油化工股份有限公司 2024-07-02 — — CN disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 — — US disclosed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 — — US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 — — US disclosed
CN-113698287-A Method for preparing p-methylbenzoic acid by catalyzing carbon dioxide and methylbenzene 中国石油化工股份有限公司 2021-11-26 — — CN disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 — — US disclosed
CN-107522664-B Amino acid derivatives functionalized at the N-terminus capable of forming drug-encapsulated microspheres 麻省理工学院 2021-03-16 — — CN disclosed
EP-3765005-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE The Regents of the University of California (US) 2021-01-20 — — EP disclosed
US-6057346-A USED TO DELAY OR SUPPRESS THE TRANSITION OF A RETROVIRAL INFECTION FROM A LATENT TO A VIRULENT CONDITION, THEREBY AMELIORATING RETROVIRALLY CAUSED DISEASES SUCH AS AIDS, ARE ALSO USEFUL IN CANCER TREATMENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-02 — — US disclosed
US-5744492-A Method for inhibiting angiogenesis UNITED STATES OF AMERICA (US) 1998-04-28 — — US disclosed
EP-0797438-A1 INHIBITION OF RETROVIRAL LTR PROMOTERS BY CALCIUM RESPONSE MODIFIERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-10-01 — — EP disclosed
US-5565478-A Combination therapy using signal transduction inhibitors with paclitaxel and other taxane analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1996-10-15 — — US disclosed
WO-1996018394-A1 INHIBITION OF RETROVIRAL LTR PROMOTERS BY CALCIUM RESPONSE MODIFIERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE DEPARTMENT OFHEALTH AND HUMAN SERVICES (US) 1996-06-20 — — WO disclosed
WO-1995008327-A1 METHOD FOR INHIBITING ANGIOGENESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-03-30 — — WO disclosed
WO-1995007695-A1 METHOD FOR INHIBITING METALLOPROTEINASE EXPRESSION THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-03-23 — — WO disclosed
EP-0151529-B1 5-(AMINO OR SUBSTITUTED AMINO)-1,2,3-TRIAZOLES MERCK & CO. INC. (US) 1991-09-18 — — EP disclosed
US-4590201-A ANTICOCCIDIAL AGENT FOR ANIMALS PARTICULARLY FOR POULTRY MERCK & CO., INC. (US) 1986-05-20 — — US disclosed
EP-0151529-A2 5-(Amino or substituted amino)-1,2,3-triazoles MERCK & CO. INC. (US) 1985-08-14 — — EP 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 (4 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 TPMT 2223/4885ALDH1A1 2196/4885MAPK1 1447/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 TPMT 2119/4885ALDH1A1 382/4885MAPK1 3134/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 TPMT 2119/4885ALDH1A1 382/4885MAPK1 3134/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 TPMT 2223/4885ALDH1A1 2196/4885MAPK1 1447/4885

“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.

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