SCHEMBL4520334

SCHEMBL4520334

CCOC(=O)C1(C(=O)OCC)Cc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 3/20 0.43
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.39
TDP2 O95551 1/20 0.38

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
SCHEMBL4795018 0.99 CXCR5 (0.42) CXCR5GAAPOLBDPP7ALDH1A1
SCHEMBL4795023 0.99 CXCR5 (0.42) CXCR5GAAPOLBDPP7ALDH1A1
SCHEMBL13360618 0.88 DPP7 (0.41) CXCR5GAAPOLBDPP7ALDH1A1
SCHEMBL16595774 0.82 OPRM1 (0.46) CXCR5POLBNPSR1CYP1A2CYP2C9
SCHEMBL13259212 0.82 OPRM1 (0.43) GAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13259214 0.80 ESR1 (0.39) ESR1ESR2SMN1; SMN2
SCHEMBL795467 0.79 ESR1 (0.40) DPP7ALDH1A1NPSR1ESR1ESR2
SCHEMBL31537527 0.79 ESR1 (0.40) DPP7ALDH1A1NPSR1ESR1ESR2
SCHEMBL22898433 0.79 LMNA (0.42) GAAALDH1A1CYP1A2ESR1ESR2
SCHEMBL30267475 0.79 OPRM1 (0.40) CXCR5POLBALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 CXCR5 645/4885GAA 4536/4885POLB 4867/4885

“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.