SCHEMBL426444

SCHEMBL426444

COc1ccc(C(=O)CBr)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAPT P10636 5/20 0.63
CTNNB1 P35222 2/20 0.63
WNT3A P56704 2/20 0.63
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA7 P43166 1/20 0.61
TPMT P51580 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
GSK3B P49841 1/20 0.59
ALDH1A1 P00352 4/20 0.58
GAA P10253 2/20 0.55

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
SCHEMBL29620831 1.00 TSHR (0.63) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5051403 0.89 MAPK1 (0.63) TSHRMAPTCTNNB1WNT3AGSK3B
SCHEMBL6927015 0.89 TSHR (0.58) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3014850 0.89 TSHR (0.67) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8134357 0.87 MAPK1 (0.66) TSHRGSK3BALDH1A1MEN1KMT2A
SCHEMBL20116207 0.87 PDE4B (0.61) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9203255 0.87 MEN1 (0.54) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9204477 0.86 KDM4E (0.54) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9589259 0.86 PDE4B (0.62) TSHRMAPTCTNNB1WNT3AALDH1A1
SCHEMBL9201403 0.86 TSHR (0.49) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106823865-B Aromatic polyamide composite reverse osmosis membrane grafted with fluorocarbon material and aminoglycoside antibiotic and preparation method thereof 天津大学 2020-04-10 CN claimed
CN-109020792-A A method of synthesis β-O-4 lignin dimer model compound 中国科学院青岛生物能源与过程研究所 2018-12-18 CN claimed
CN-106823865-A A kind of aromatic polyamide composite reverse osmosis membrane and preparation method for being grafted carbon fluorine class material and aminoglycoside antibiotics 天津大学 2017-06-13 CN claimed
US-20140235863-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-21 US claimed
WO-2012164572-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-06 WO claimed
EP-4200297-B1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2026-05-13 EP disclosed
US-12486267-B2 Imidazo[1,2-A]pyridine and [1,2,4]triazolo[1,5-A]pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-02 US disclosed
US-20250346588-A1 IMIDAZOPYRIDINE AND OXAZOLOPYRIDINE DERIVATIVES AND ANALOGS THEREOF, METHODS OF PREPARATION THEREOF, METHODS OF HIF-1/2A PATHWAY INHIBITION, AND INDUCTION OF FERROPTOSIS KUDA THERAPEUTICS INC (US) 2025-11-13 US disclosed
US-20250257058-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO US GOV VETERANS AFFAIRS (US) 2025-08-14 US disclosed
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 US disclosed
US-12275723-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-15 US disclosed
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 EP disclosed
US-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US disclosed
EP-0029707-B1 NOVEL PIPERIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-02-01 EP disclosed
EP-0086450-A2 Substituted phenylpyrazole derivatives, process for their preparation, medicines based on these compounds and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-24 EP disclosed
EP-0070171-A1 Novel piperidine derivatives, processes for preparation thereof and pharmaceutical compositions containing same KYOWA HAKKO KOGYO CO., LTD (JP) 1983-01-19 EP disclosed
EP-0018417-B1 NOVEL PIPERIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1982-06-30 EP disclosed
EP-0034894-A2 2-(1-Piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives, processes for their preparation, intermediates used in the processes and the preparation thereof and pharmaceutical compositions containing the derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1981-09-02 EP disclosed
EP-0018417-A1 Novel piperidine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1980-11-12 EP disclosed
US-4054719-A ACRYLIC ESTER, TERTIARY AMINE AMERICAN CYANAMID COMPANY (US) 1977-10-18 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 (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-20140235863-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF TST, NQO1, FNTB TSHR 1120/4885CYP1A2 45/4885CYP3A4 16/4885
US-20250346588-A1 IMIDAZOPYRIDINE AND OXAZOLOPYRIDINE DERIVATIVES AND ANALOGS THEREOF, METHODS OF PREPARATION THEREOF, METHODS OF HIF-1/2A PATHWAY INHIBITION, AND INDUCTION OF FERROPTOSIS HIF1AN, HIF1A, EGLN2 TSHR 1368/4885CYP1A2 479/4885CYP3A4 1238/4885
US-12275723-B2 Compounds and uses thereof NLN, ACHE, CLN6 TSHR 4679/4885CYP1A2 1091/4885CYP3A4 1178/4885
US-20250257058-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO PELI1, MALT1, MCTS1 TSHR 2867/4885CYP1A2 4094/4885CYP3A4 4473/4885
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL APP, APBA1, PRNP TSHR 4564/4885CYP1A2 4386/4885CYP3A4 4791/4885
US-12486267-B2 Imidazo[1,2-A]pyridine and [1,2,4]triazolo[1,5-A]pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis TLR9, TLR1, TLR7 TSHR 1088/4885CYP1A2 4203/4885CYP3A4 4306/4885

“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.