SCHEMBL4596158

SCHEMBL4596158

O=C1CCc2cc(Br)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.43
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
SRD5A1 P18405 2/20 0.39
SRD5A2 P31213 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIRT2 Q8IXJ6 4/20 0.38
TSHR P16473 1/20 0.37
METAP1 P53582 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
SCHEMBL1516708 0.89 AHR (0.41) AHRTDP1L3MBTL1PARP10PARP11
SCHEMBL620562 0.86 AHR (0.58) AHRTDP1L3MBTL1PARP10PARP11
SCHEMBL8759192 0.85 MAOB (0.43) AHRALDH2ALDH3A1TDP1L3MBTL1
SCHEMBL3335046 0.82 MAOA (0.45) AHRSIRT2METAP1
SCHEMBL30697936 0.82 MAOA (0.45) AHRSIRT2METAP1
SCHEMBL619709 0.78 AHR (0.56) AHRTDP1L3MBTL1PARP10PARP11
SCHEMBL14054458 0.77 AHR (0.43) AHRTDP1L3MBTL1PARP10PARP11
SCHEMBL5859179 0.77 ALDH2 (0.41) ALDH2ALDH3A1KDM4ECYP1A2GLA
SCHEMBL32672830 0.77 ALDH2 (0.41) ALDH2ALDH3A1SRD5A1KDM4ECYP1A2
SCHEMBL752211 0.77 ALDH2 (0.41) ALDH2ALDH3A1PARP10SRD5A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631168-B GPR35 modulators 普罗米修斯生物科学公司 2024-11-19 CN disclosed
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 EP disclosed
US-11827614-B2 Synthetic pathway to belzutifan and crystalline phases of synthetic intermediates MERCK SHARP & DOHME LLC (US) 2023-11-28 US disclosed
US-11827614-B2 Synthetic pathway to belzutifan and crystalline phases of synthetic intermediates MERCK SHARP & DOHME LLC (US) 2023-11-28 US disclosed
US-11827614-B2 Synthetic pathway to belzutifan and crystalline phases of synthetic intermediates MERCK SHARP & DOHME LLC (US) 2023-11-28 US disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
CN-112457280-B Synthesis of terphenyl compounds 维克图斯生物系统有限公司 2023-07-21 CN disclosed
CN-114394980-B Preparation method of spiro spiroketal compound 广东省科学院动物研究所 2022-12-13 CN disclosed
US-20220388974-A1 NOVEL SYNTHETIC PATHWAY TO BELZUTIFAN AND CRYSTALLINE PHASES OF SYNTHETIC INTERMEDIATES MERCK SHARP & DOHME LLC (US) 2022-12-08 US disclosed
CN-114539281-B Spiro spiroketal compound and application thereof in preparation of anti-plasmodium drugs 广东省科学院动物研究所 2022-09-09 CN disclosed
CN-101090894-A Macrocyclic compounds and compositions useful as BACE inhibitors NOVARTIS AG (CH) 2007-12-19 CN disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed
US-20060131541-A1 Dihydrocoumarin derivative, liquid crystal composition containing the same, and liquid crystal display device JNC PETROCHEMICAL CORPORATION (JP) 2006-06-22 US disclosed
EP-0738267-A1 ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY Allergan (US) 1996-10-23 EP disclosed
WO-1995018803-A1 ACETYLENES DISUBSTITUTED WITH A PHENYL OR HETEROARYL GROUP AND A 2-OXOCHROMANYL, 2-OXOTHIOCHROMANYL OR 2-OXO-1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY ALLERGAN (US) 1995-07-13 WO disclosed
US-5399561-A Used for treating skin disorders in mammals ALLERGAN, INC. (US) 1995-03-21 US disclosed
EP-0207605-B1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1990-02-07 EP disclosed
US-4703052-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-10-27 US disclosed
EP-0207605-A1 Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-01-07 EP disclosed
WO-1986007056-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1986-12-04 WO 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-20060131541-A1 Dihydrocoumarin derivative, liquid crystal composition containing the same, and liquid crystal display device HCCS, SCO2, COIL AHR 606/4885ALDH2 1020/4885ALDH3A1 235/4885
US-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 AHR 324/4885ALDH2 1378/4885ALDH3A1 3046/4885
US-20220388974-A1 NOVEL SYNTHETIC PATHWAY TO BELZUTIFAN AND CRYSTALLINE PHASES OF SYNTHETIC INTERMEDIATES HIF1AN, HIF1A, EGLN2 AHR 59/4885ALDH2 2198/4885ALDH3A1 1870/4885
US-11827614-B2 Synthetic pathway to belzutifan and crystalline phases of synthetic intermediates HIF1AN, HIF1A, EGLN2 AHR 56/4885ALDH2 2014/4885ALDH3A1 1849/4885

“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.