SCHEMBL4155480

SCHEMBL4155480

NC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.68
PARP10 Q53GL7 1/20 0.49
SCN9A Q15858 3/20 0.48
KIF11 P52732 1/20 0.47
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
RXFP1 Q9HBX9 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
MAOB P27338 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 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
SCHEMBL30775024 1.00 CTNNB1 (0.68) CTNNB1PARP10SCN9AKIF11ICAM1
SCHEMBL9138387 0.86 CTNNB1 (0.51) CTNNB1SCN9ARXFP1KDM4EMAPK14
SCHEMBL4155251 0.84 CTNNB1 (0.68) CTNNB1PARP10SMN1; SMN2IRAK4MAPT
SCHEMBL15901648 0.84 CTNNB1 (0.62) CTNNB1PARP10SMN1; SMN2KDM4EALDH1A1
SCHEMBL30775020 0.84 CTNNB1 (0.62) CTNNB1SCN9AICAM1SELERXFP1
SCHEMBL27800575 0.83 CTNNB1 (0.77) CTNNB1PARP10SCN9ASMN1; SMN2IRAK4
Trifluoroacetic Acid SCHEMBL5478809 0.83 CTNNB1 (0.81) CTNNB1PARP10SMN1; SMN2RXFP1IRAK4
SCHEMBL28751454 0.82 CTNNB1 (0.59) CTNNB1SCN9ASMN1; SMN2RXFP1KDM4E
SCHEMBL5724 0.81 CTNNB1 (1.00) CTNNB1PARP10SMN1; SMN2IRAK4SIRT2
SCHEMBL28876495 0.81 CTNNB1 (1.00) CTNNB1PARP10SMN1; SMN2IRAK4SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
CN-1245368-C (4-(4'-trifluoromethyl)phenoxy phenyl)-hydroquinone and its synthesis method and application in polymer material UNIV JILIN (CN) 2006-03-15 CN 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 CTNNB1 2627/4885PARP10 2575/4885SCN9A 1009/4885

“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.