SCHEMBL101981

SCHEMBL101981

CC(C)Cc1ccc(CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.52
PTGS2 P35354 4/20 0.52
ALOX5 P09917 3/20 0.52
LMNA P02545 2/20 0.52
CYP2C9 P11712 2/20 0.52
AKR1C3 P42330 2/20 0.52
CXCR1 P25024 2/20 0.52
CXCR2 P25025 2/20 0.52
ALB P02768 1/20 0.52
ESR1 P03372 1/20 0.52
RARB P10826 1/20 0.52
ADRB3 P13945 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR2A P28223 1/20 0.52
NR1I3 Q14994 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
CXCL8 P10145 1/20 0.52
TSHR P16473 1/20 0.52
AKR1C2 P52895 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL9394499 0.93 PTGS1 (0.47) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL4378113 0.87 NPC1 (0.49) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL4378115 0.87 NPC1 (0.49) PTGS1PTGS2ALOX5LMNACYP2C9
Hydrogen Peroxide SCHEMBL9581174 0.86 PTGS1 (0.64) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL1131597 0.86 PTGS1 (0.56) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL5174938 0.83 PTGS1 (0.54) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL3456644 0.81 EPHX2 (0.46) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL114824 0.80 PTGS1 (0.48) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL1977984 0.80 PTGS2 (0.58) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL4495707 0.80 TAAR1 (0.68)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423184-B2 Method of making carbonyl compounds SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-09-09 US claimed
EP-1934162-A2 METHOD OF MAKING BENZYLATED PHENOLS General Electric Company (US) 2008-06-25 EP claimed
WO-2007027375-A2 METHOD OF MAKING BENZYLATED PHENOLS GENERAL ELECTRIC COMPANY (US) 2007-03-08 WO claimed
US-20070049767-A1 Method of making carbonyl compounds SABIC GLOBAL TECHNOLOGIES IP B.V. (NL) 2007-03-01 US claimed
JP-5163223-A None JP disclosed
US-20240239786-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CANCER YALE UNIVERSITY 2024-07-18 US disclosed
US-20240216361-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2024-07-04 US disclosed
US-11911751-B2 Catalyst compositions for hydroformylation and methods of use thereof BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-02-27 US disclosed
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-27 US disclosed
US-20240025914-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2024-01-25 US disclosed
US-20240018089-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME UNIV YALE (US) 2024-01-18 US disclosed
US-11873312-B2 Transcriptome in vivo analysis (TIVA) and transcriptome in situ analysis (TISA) THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2024-01-16 US disclosed
US-4935240-A Benzoylaminophenoxybutanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-19 US disclosed
EP-0294035-A2 Benzoylaminophenoxybutanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-07 EP disclosed
EP-0244632-A2 Tube bundle reactor, its use in exothermal organic reactions and process for the preparation of ketones and aldehydes BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
US-4683244-A Sebosuppressive cosmetic preparations containing alkoxy or alkylbenzyloxy benzoic acids or their salts HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-07-28 US disclosed
EP-0186255-A2 Process for preparing benzyl substituted phenols, dibenzylphenolic compounds, and the antioxidant use of such phenols ETHYL CORPORATION (US) 1986-07-02 EP disclosed
US-4514577-A ANTIOXIDANTS ETHYL CORPORATION (US) 1985-04-30 US disclosed
US-4224254-A OXIDATION OF AROMATIC ALCOHOLS, SILVER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 US disclosed
EP-0004881-A2 Process for the preparation of aromatic and araliphatic aldehydes BASF Aktiengesellschaft (DE) 1979-10-31 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 (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-20240018089-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME DNPEP, NQO1, DNPH1 PTGS1 751/4885PTGS2 921/4885ALOX5 1195/4885
US-11873312-B2 Transcriptome in vivo analysis (TIVA) and transcriptome in situ analysis (TISA) RNMT, RNGTT, NSUN2 PTGS1 4480/4885PTGS2 4447/4885ALOX5 3668/4885
US-20240216361-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA PTGS1 1104/4885PTGS2 1274/4885ALOX5 756/4885
US-20070049767-A1 Method of making carbonyl compounds SOD1, CAT, MT-CO2 PTGS1 1003/4885PTGS2 316/4885ALOX5 401/4885
US-20240239786-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CANCER BRCA1, RAD51, PARP3 PTGS1 662/4885PTGS2 1350/4885ALOX5 459/4885
US-20240025914-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS PTGS1 3856/4885PTGS2 3278/4885ALOX5 2906/4885
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists API5, XIAP, BIRC5 PTGS1 2406/4885PTGS2 3029/4885ALOX5 4105/4885

“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.