SCHEMBL172191

SCHEMBL172191

O=C(CCl)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
KDM4E B2RXH2 1/20 1.00
CREBBP Q92793 1/20 0.60
SMYD3 Q9H7B4 1/20 0.52
NOS1 P29475 2/20 0.50
ENPP2 Q13822 7/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
KMO O15229 1/20 0.45
ESR1 P03372 1/20 0.45
ATXN2 Q99700 3/20 0.44
PSMB8 P28062 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL118687 0.88 KDM4E (0.78) ALDH1A1KDM4ECREBBPSMYD3NOS1
SCHEMBL823908 0.88 ALDH1A1 (0.78) ALDH1A1KDM4ECREBBPSMYD3NOS1
SCHEMBL2583451 0.84 KDM4E (0.73) ALDH1A1KDM4ECREBBPSMYD3NOS1
SCHEMBL5454067 0.84 KDM4E (0.73) ALDH1A1KDM4ECREBBPSMYD3NOS1
SCHEMBL9472025 0.84 KDM4E (0.73) ALDH1A1KDM4ECREBBPSMYD3NOS1
SCHEMBL31208294 0.84 KDM4E (0.73) ALDH1A1KDM4ECREBBPSMYD3NOS1
SCHEMBL2316982 0.82 KDM4E (0.69) ALDH1A1KDM4ECREBBPSMYD3NOS1
SCHEMBL9683724 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ECREBBPSMYD3NOS1
SCHEMBL10393915 0.82 KDM4E (0.69) ALDH1A1KDM4ECREBBPSMYD3NOS1
SCHEMBL12266541 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ECREBBPSMYD3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LIGACHEM BIOSCIENCES INC. (KR) 2025-08-19 US disclosed
CN-116134035-B 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2025-03-11 CN disclosed
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP disclosed
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 US disclosed
EP-3442973-B1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES INC (KR) 2022-08-31 EP disclosed
CN-109476664-B Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same 乐高化学生物科学股份有限公司 2021-08-10 CN disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-10889575-B2 4,4-diphenylpiperidine compounds or pharmaceutically acceptable salts thereof, pharmaceutical compositions and uses thereof ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2021-01-12 US disclosed
WO-2004074272-A1 ANTHELMINTIC AGENTS AND INSECTICIDAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-09-02 WO disclosed
US-20040171650-A1 Novel anthelmintic and insecticidal compositions LEE BYUNG HYUN (US) 2004-09-02 US disclosed
EP-0709384-B1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GMBH (DE) 1998-12-23 EP disclosed
US-5698553-A Benzylpiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-16 US disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed
US-4816457-A HYPOTENSIVE AGENTS, BRONCHODILATORS, EYES MERCK & CO., INC., A CORP. OF NJ 1989-03-28 US disclosed
US-4686222-A ADRENERGIC BLOCKERS, BRONCHODILATORS MERCK & CO., INC. (US) 1987-08-11 US disclosed
US-4568679-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS, BRONCHODILATOR AGENTS, REDUCING INTRAOCULAR PRESSURE MERCK & CO., INC. (US) 1986-02-04 US disclosed
EP-0105053-A1 Aralkylaminoethanol heterocyclic compounds MERCK & CO. INC. (US) 1984-04-11 EP disclosed
US-4358455-A GLAUCOMA, HYPOTENSIVE, ANTIARRHYTHMIA, BRONCHODILATORS MERCK & CO., INC. (US) 1982-11-09 US 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 (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-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885CREBBP 3867/4885
US-10889575-B2 4,4-diphenylpiperidine compounds or pharmaceutically acceptable salts thereof, pharmaceutical compositions and uses thereof CACNA1B, CACNA1D, TRPV4 ALDH1A1 250/4885KDM4E 758/4885CREBBP 1243/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885CREBBP 3867/4885
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 ALDH1A1 2661/4885KDM4E 1528/4885CREBBP 4514/4885
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885CREBBP 3867/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 ALDH1A1 4207/4885KDM4E 3095/4885CREBBP 3867/4885
US-20040171650-A1 Novel anthelmintic and insecticidal compositions ACHE, AADAC, BCHE ALDH1A1 2861/4885KDM4E 1321/4885CREBBP 3952/4885

“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.