SCHEMBL3376445

SCHEMBL3376445

C#CCCCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAAA Q02083 4/20 0.44
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
EPHX2 P34913 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL1421766 0.98 L3MBTL1 (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL1422059 0.98 L3MBTL1 (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL23014897 0.98 L3MBTL1 (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL19608820 0.98 L3MBTL1 (0.50) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL1603273 0.94 TSHR (0.52) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL23567311 0.91 TSHR (0.45) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL23567282 0.90 TSHR (0.44) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL23567301 0.90 TSHR (0.44) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL23567240 0.90 TSHR (0.44) TSHRL3MBTL1TDP1NAAAHRH4
SCHEMBL23567217 0.90 TSHR (0.44) TSHRL3MBTL1TDP1NAAAHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570648-B2 6,7-dihydro-5H-pyrido[2,3-c]pyridazine derivatives and related compounds as Bcl-xL protein inhibitors and pro-apoptotic agents for treating cancer LES LABORATOIRES SERVIER (FR) 2026-03-10 US disclosed
CN-114450284-B 6, 7-Dihydro-5H-pyrido [2,3-C ] pyridazine derivatives as BCL-XL protein inhibitors 法国施维雅药厂 2024-05-07 CN disclosed
EP-4003989-B1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER SERVIER LAB (FR) 2023-12-27 EP disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20220363677-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER VERNALIS (R&D) LTD (GB) 2022-11-17 US disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 CN disclosed
EP-4003989-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER Les Laboratoires Servier (FR) 2022-06-01 EP disclosed
WO-2021130492-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2021-07-01 WO disclosed
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
US-20070078098-A1 Anti-hypercholesterolemic compounds MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
US-20070078098-A1 Anti-hypercholesterolemic compounds MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-4245104-A Isoxazolines and isoxazolidines HOFFMANN-LA ROCHE INC. (US) 1981-01-13 US disclosed
EP-0011777-A1 Novel process for the manufacture of thiophene derivatives suited for the manufacture of biotin, process for the manufacture of biotin and novel intermediates in this process F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 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 (6 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 TSHR 1481/4885L3MBTL1 4124/4885TDP1 1197/4885
US-12570648-B2 6,7-dihydro-5H-pyrido[2,3-c]pyridazine derivatives and related compounds as Bcl-xL protein inhibitors and pro-apoptotic agents for treating cancer BCOR, BCL2A1, BAK1 TSHR 2410/4885L3MBTL1 1905/4885TDP1 2743/4885
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 TSHR 3550/4885L3MBTL1 3425/4885TDP1 2097/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TSHR 962/4885L3MBTL1 2776/4885TDP1 326/4885
US-20070078098-A1 Anti-hypercholesterolemic compounds CETP, HMGCR, PCSK9 TSHR 4692/4885L3MBTL1 2879/4885TDP1 4021/4885
US-20220363677-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER BAK1, BCL2, BCL2A1 TSHR 3808/4885L3MBTL1 2517/4885TDP1 2719/4885

“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.