SCHEMBL5422011

SCHEMBL5422011

OCCc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.47
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
P2RX7 Q99572 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CNR1 P21554 1/20 0.38
GPR183 P32249 1/20 0.38
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAOB P27338 1/20 0.37
ADORA1 P30542 1/20 0.37
MRGPRX4 Q96LA9 1/20 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
SCHEMBL1629699 0.89 POLQ (0.45) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL12682526 0.86 POLQ (0.50) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL15779383 0.85 NOS3 (0.44) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL14992788 0.81 HTR2A (0.44) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL27851289 0.81 POLQ (0.43) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL18682191 0.81 POLQ (0.47) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL11603196 0.80 POLQ (0.48) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL15532382 0.80 POLQ (0.52) POLQCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL22972987 0.79 DAO (0.51) POLQCYP2D6CTSSCTSK
SCHEMBL22445529 0.79 IDO1 (0.56) POLQP2RX7CTSSCTSKSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100436440-C Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM INC (US) 2008-11-26 CN disclosed
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
CN-1659159-A Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM INC (US) 2005-08-24 CN disclosed
EP-1497277-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2005-01-19 EP disclosed
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith NOVARTIS AG (CH) 2004-05-13 US disclosed
WO-2003089422-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-30 WO disclosed
US-6620838-B1 Anticarcinogenic, antimestasis, and antiarthritic agents; osteoporosis and endometriosis treatment SIGNAL PHARMACEUTICALS, INC. 2003-09-16 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 (2 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-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith ESR2, CYP19A1, ESRRA POLQ 2657/4885CYP1A2 95/4885CYP2D6 62/4885
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith ESR2, ESRRA, ESR1 POLQ 1895/4885CYP1A2 192/4885CYP2D6 136/4885

“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.