SCHEMBL368230

SCHEMBL368230

O=C(C=Cc1cc(F)cc(F)c1)c1ccc(=O)[nH]c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KRAS P01116 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SNCA P37840 2/20 0.43
BACE1 P56817 1/20 0.42
PADI4 Q9UM07 1/20 0.42
KDR P35968 1/20 0.41
MAPT P10636 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL368229 1.00 TNFRSF1A (0.49) TNFRSF1ASMN1; SMN2ALDH1A1KRASATM
SCHEMBL368622 0.84 MAOB (0.47) CYP1A1CYP1B1PTGS2MAOAMAOB
SCHEMBL368621 0.84 MAOB (0.47) CYP1A1CYP1B1PTGS2MAOAMAOB
SCHEMBL1224370 0.75 CYP1B1 (0.63) TNFRSF1ASMN1; SMN2ALDH1A1KRASATM
SCHEMBL362071 0.75 CYP1B1 (0.63) TNFRSF1ASMN1; SMN2ALDH1A1KRASATM
SCHEMBL368685 0.74 EPHX2 (0.45) SMN1; SMN2ALDH1A1ATML3MBTL1MAPT
SCHEMBL368684 0.74 EPHX2 (0.45) SMN1; SMN2ALDH1A1ATML3MBTL1MAPT
SCHEMBL9338090 0.72 MAPT (0.64) SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL9338075 0.72 MAPT (0.64) SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL4921096 0.72 CYP1B1 (0.72) SMN1; SMN2ALDH1A1MAPTCYP1A1CYP1B1

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 (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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 TNFRSF1A 1929/4885SMN1; SMN2 2264/4885ALDH1A1 132/4885

“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.