SCHEMBL241137

SCHEMBL241137

CC(=O)Cc1ccc(CC(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
PTGS1 P23219 4/20 0.55
PTGS2 P35354 4/20 0.55
ALOX5 P09917 3/20 0.55
LMNA P02545 2/20 0.55
CYP2C9 P11712 2/20 0.55
AKR1C3 P42330 2/20 0.55
CXCR1 P25024 2/20 0.55
CXCR2 P25025 2/20 0.55
ALB P02768 1/20 0.55
ESR1 P03372 1/20 0.55
RARB P10826 1/20 0.55
ADRB3 P13945 1/20 0.55
NFKB1 P19838 1/20 0.55
HTR2A P28223 1/20 0.55
NR1I3 Q14994 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
CXCL8 P10145 1/20 0.55
TSHR P16473 1/20 0.55
AKR1C2 P52895 1/20 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
SCHEMBL25146602 0.94 POLB (0.53) POLBPTGS1PTGS2ALOX5LMNA
SCHEMBL8403545 0.83 POLB (0.61) POLBPTGS1LMNATSHR
Ibufenac SCHEMBL24244 0.83 PTGS1 (0.60) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL11800587 0.83 PTGS1 (0.55) PTGS1PTGS2ALOX5LMNACYP2C9
Ibufenac SCHEMBL9751056 0.81 PTGS1 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9
Ibufenac SCHEMBL11795077 0.81 PTGS1 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9
Ibufenac SCHEMBL11571262 0.81 PTGS1 (0.58) PTGS1PTGS2ALOX5LMNACYP2C9
Ibufenac SCHEMBL503595 0.81 PTGS1 (0.58) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL21341936 0.81 PTGS1 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL2528573 0.81 PTGS1 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119715820-A Method for detecting ibuprofen related substances in ibuprofen renin tablets 北京济美堂医药研究有限公司 2025-03-28 CN claimed
EP-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 EP claimed
US-3988446-A Glycerides with anti-inflammatory properties ABBOTT LABORATORIES (US) 1976-10-26 US claimed
CN-119715820-A Method for detecting ibuprofen related substances in ibuprofen renin tablets 北京济美堂医药研究有限公司 2025-03-28 CN disclosed
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2024-02-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-20230157952-A1 METHOD FOR IMPROVING THE STABILITY OF A PHARMACEUTICAL COMPOSITION COMPRISING A HIGH PENETRATION DRUG, AND THE PHARMACEUTICAL COMPOSITION OBTAINED THEREFROM TECHFIELDS INC. (US) 2023-05-25 US disclosed
CN-113329996-B Compounds and methods for treating hedgehog pathway related disorders 博远医药(苏州)有限公司 2023-03-10 CN disclosed
CN-113329996-A Compounds and methods for treating hedgehog pathway related disorders 苏州麦迪耐斯医药科技有限公司 2021-08-31 CN disclosed
US-4546106-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1985-10-08 US disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed
US-4355034-A Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents MERCK & CO., INC. (US) 1982-10-19 US disclosed
US-4217352-A ANTIARTHRITIC AGENT MERCK & CO., INC. (US) 1980-08-12 US disclosed
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4144342-A ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4061759-A ANTIINFLAMMATORY, ARTHRITIS MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 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 (3 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO POLB 3371/4885PTGS1 599/4885PTGS2 646/4885
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO POLB 3806/4885PTGS1 583/4885PTGS2 610/4885
US-20230157952-A1 METHOD FOR IMPROVING THE STABILITY OF A PHARMACEUTICAL COMPOSITION COMPRISING A HIGH PENETRATION DRUG, AND THE PHARMACEUTICAL COMPOSITION OBTAINED THEREFROM SLC7A1, ABCG2, SLCO4C1 POLB 2456/4885PTGS1 707/4885PTGS2 619/4885

“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.