SCHEMBL1472949

SCHEMBL1472949

CC(C)(C)c1c(F)cc(O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
TAAR1 Q96RJ0 1/20 0.39
CA1 P00915 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
BACE1 P56817 1/20 0.35
TYR P14679 3/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.34
NR1I2 O75469 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL14189235 0.81 CYP3A4 (0.47) GABRA1GABRB2CA1ALDH1A1ALOX15
SCHEMBL19418006 0.80 GABRA1 (0.37) GABRA1GABRB2TAAR1CA1CA12
SCHEMBL1473762 0.78 GABRA1 (0.36) GABRA1GABRB2TAAR1CA1CA12
SCHEMBL12086412 0.78 RIPK1 (0.36) CA1CA12CA9ALDH1A1PTGS1
SCHEMBL10256479 0.78 ALDH1A1 (0.40) CA1ALDH1A1SMN1; SMN2TYRCYP2C9
SCHEMBL759007 0.76 CA12 (0.41) GABRA1GABRB2TAAR1CA1CA12
SCHEMBL10212115 0.76 GABRA1 (0.42) GABRA1GABRB2ALDH1A1ALOX15KDM4E
SCHEMBL12343895 0.74 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL17464296 0.74 TSHR (0.35) HTTPOLB
SCHEMBL12597843 0.74 MAPT (0.34) MAPT

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
CN-119409556-A Preparation method of high-purity 2-bromo-4-tert-butyl-3, 5-difluorophenol 大连奇凯医药科技有限公司 2025-02-11 CN claimed
US-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof BAUSCH + LOMB IRELAND LIMITED (IE) 2025-10-07 US disclosed
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
CN-119409556-A Preparation method of high-purity 2-bromo-4-tert-butyl-3, 5-difluorophenol 大连奇凯医药科技有限公司 2025-02-11 CN disclosed
CN-119409556-A Preparation method of high-purity 2-bromo-4-tert-butyl-3, 5-difluorophenol 大连奇凯医药科技有限公司 2025-02-11 CN disclosed
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2024-09-19 US disclosed
EP-3601388-B1 BIS-BIPHENYL-PHENOXY CATALYSTS FOR OLEFIN POLYMERIZATION DOW GLOBAL TECHNOLOGIES LLC (US) 2024-08-07 EP disclosed
WO-2024109919-A1 PYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2024-05-30 WO disclosed
EP-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 EP disclosed
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-26 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
US-7514457-B2 Substituted aryloxymethyl bicyclicmethyl acetamide compounds PFIZER INC. (US) 2009-04-07 US disclosed
EP-1893583-A1 SUBSTITUTED ARYLOXY-N-BICYCLOMETHYL ACETAMIDE COMPOUNDS AS VR1 ANTAGONISTS Pfizer, Inc. (US) 2008-03-05 EP disclosed
EP-1861359-A1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN Pfizer, Inc. (US) 2007-12-05 EP disclosed
WO-2006097817-A9 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC (JP) 2006-12-07 WO disclosed
WO-2006129164-A1 SUBSTITUTED ARYLOXY-N-BICYCLOMETHYL ACETAMIDE COMPOUNDS AS VR1 ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-07 WO disclosed
US-20060270682-A1 Substituted Aryloxymethyl Bicyclicmethyl Acetamide Compounds PFIZER, INC. 2006-11-30 US disclosed
WO-2006097817-A1 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC. (JP) 2006-09-21 WO disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 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-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 GABRA1 283/4885GABRB2 218/4885TAAR1 346/4885
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 GABRA1 125/4885GABRB2 433/4885TAAR1 25/4885
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF TRPV1, TRPV3, TRPV2 GABRA1 283/4885GABRB2 218/4885TAAR1 346/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 GABRA1 121/4885GABRB2 390/4885TAAR1 24/4885
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action RORB, RORC, RORA GABRA1 50/4885GABRB2 23/4885TAAR1 288/4885
US-20060270682-A1 Substituted Aryloxymethyl Bicyclicmethyl Acetamide Compounds NR0B1, NR0B2, NR2C2 GABRA1 238/4885GABRB2 284/4885TAAR1 86/4885

“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.