SCHEMBL4998918

SCHEMBL4998918

CC(=O)Oc1cc[c]cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BLM P54132 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
CFD P00746 2/20 0.36

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
SCHEMBL1451808 0.82 KDM4E (0.44) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL3929678 0.81 RAB9A (0.44) TSHRRAB9ALMNA
SCHEMBL20262200 0.79 ACHE (0.42) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL1205065 0.78 TNFSF11 (0.46) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL3197508 0.78 TSHR (0.49) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL6962146 0.78 KDM4E (0.40) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL8040089 0.78 CFD (0.40) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL20138650 0.78 KDM4E (0.38) CYP4F2CYP4A11KDM4EALDH1A1TSHR
SCHEMBL6200251 0.76 KDM4E (0.58) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL226719 0.75 NR1H4 (0.39) KDM4EALDH1A1TSHRHSD17B10HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US disclosed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US disclosed
CN-1744892-A Breast cancer resistance protein (BCRP) inhibitor YAKULT HONSHA KK (JP) 2006-03-08 CN disclosed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 EP disclosed
US-6458813-B1 2-CYCLOHEXYLOXY-5-(2-CHLOROPHENYLCARBONYLAMINO)PYRIDINE, FOR EXAMPLE; TREATING INFLAMMATION, PAIN, DIABETES, CANCER AMGEN INC. 2002-10-01 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed
US-4755513-A Antimicrobial 1-substituted phenyl-4-oxoquinoline-3-carboxylic acid compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-07-05 US disclosed
EP-0181521-A1 Antimicrobial 1-substituted Phenyl-4-oxoquinoline-3-carboxylic acid compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-21 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-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor ABCC1, OSBP, OSBPL3 CYP4F2 1379/4885CYP4A11 1396/4885KDM4E 3179/4885

“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.