SCHEMBL3941649

SCHEMBL3941649

CC(C)Oc1ccccc1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.54
FFAR4 Q5NUL3 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
AKR1B1 P15121 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CHRM1 P11229 1/20 0.48
LMNA P02545 1/20 0.48
ACHE P22303 1/20 0.47
CFD P00746 1/20 0.46
F11 P03951 1/20 0.46
TPSB2 P20231 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
BCAT2 O15382 1/20 0.44
TSPO P30536 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL23229157 0.89 CXCL8 (0.54) CXCL8FFAR4L3MBTL1AKR1B1TDP1
SCHEMBL4565149 0.85 LTB4R (0.54) CXCL8L3MBTL1AKR1B1TDP1CHRM1
SCHEMBL8086435 0.85 CXCL8 (0.50) CXCL8L3MBTL1AKR1B1TDP1CHRM1
SCHEMBL24200105 0.85 CXCL8 (0.50) CXCL8L3MBTL1AKR1B1TDP1CHRM1
SCHEMBL4565147 0.85 LTB4R (0.54) CXCL8L3MBTL1AKR1B1TDP1CHRM1
SCHEMBL22442181 0.85 L3MBTL1 (0.50) FFAR4L3MBTL1IRAK4KDM4EALDH1A1
SCHEMBL20773671 0.84 IRAK4 (0.49) CXCL8FFAR4L3MBTL1IRAK4KDM4E
SCHEMBL27566572 0.83 KDM4E (0.47) CXCL8FFAR4L3MBTL1IRAK4KDM4E
SCHEMBL12400302 0.83 ALDH1A1 (0.49) FFAR4L3MBTL1IRAK4KDM4EALDH1A1
SCHEMBL8023122 0.83 FFAR4 (0.61) FFAR4IRAK4KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241423-B2 Antiproliferative compounds and methods of use thereof CELGENE CORPORATION (US) 2022-02-08 US disclosed
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 WO disclosed
EP-2049459-A1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL Clariant Specialty Fine Chemicals (France) (FR) 2009-04-22 EP disclosed
WO-2008012321-A1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2008-01-31 WO disclosed
EP-0709375-B1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-0863891-B1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-12-11 EP disclosed
EP-0904269-B1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-01-23 EP disclosed
US-6169188-B1 TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2001-01-02 US disclosed
US-6147083-A NOVEL SUBSTITUTED 1,2-ETHANEDIAMINE DERIVATIVES WHICH ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS, USEFUL FOR THE TREATMENT OF ASTHMA, ETC. ZENECA LIMITED (GB) 2000-11-14 US disclosed
US-5936097-A ANTITUMOR AGENTS RHONE-POULENC RORER, S.A. (FR) 1999-08-10 US disclosed
EP-0904269-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-31 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP disclosed
US-5710169-A NEUROKININ ANTAGONISTS; ANTIHISTAMINES, BRONCHODILATOR AGENTS; ASTHMA ZENECA LIMITED (GB) 1998-01-20 US disclosed
US-5698584-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-12-16 US disclosed
WO-1997016435-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-05-09 WO disclosed
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 WO disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
EP-0709375-A2 Therapeutic heterocycles ZENECA LIMITED (GB) 1996-05-01 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 (1 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-11241423-B2 Antiproliferative compounds and methods of use thereof MCL1, MKI67, BAX CXCL8 1430/4885FFAR4 4764/4885L3MBTL1 1044/4885

“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.