SCHEMBL3214101

SCHEMBL3214101

O=C1C=C(c2ccc(C(F)(F)F)cc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
KIF11 P52732 6/20 0.40
NOTUM Q6P988 1/20 0.39
WNT3A P56704 3/20 0.39
TNKS2 Q9H2K2 3/20 0.39
TNKS O95271 2/20 0.39
PTGS2 P35354 2/20 0.37
GALR1 P47211 1/20 0.37
PTGS1 P23219 1/20 0.37
CYP1A2 P05177 2/20 0.37
COMT P21964 1/20 0.36
PARP1 P09874 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 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
SCHEMBL3213139 0.80 HTR2C (0.46) NOTUMGALR1
SCHEMBL3215846 0.79 PTGS1 (0.43) NOTUMPTGS2PTGS1
SCHEMBL3205015 0.78 L3MBTL1 (0.45) KIF11NOTUMWNT3ATNKS2PTGS2
SCHEMBL3200982 0.76 CES2 (0.42) PARP1
SCHEMBL13923616 0.76 ALDH1A1 (0.40) NOTUMWNT3ATNKS2PTGS2CYP1A2
SCHEMBL13492165 0.76 PTGS1 (0.41) NOTUMWNT3ATNKS2PTGS2PTGS1
SCHEMBL13492167 0.76 HTR2C (0.36) WNT3ATNKS2GALR1CYP2A6
SCHEMBL2165399 0.76 MAPT (0.39) NOTUM
SCHEMBL17073804 0.76 NPC1 (0.43) PTGS2PTGS1
SCHEMBL979881 0.75 KMT2A (0.45) BACE1PTGS2PTGS1

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-9930888-B2 Composition CONOPCO, INC. (US) 2018-04-03 US disclosed
US-9930888-B2 Composition CONOPCO, INC. (US) 2018-04-03 US disclosed
US-20150351393-A1 COMPOSITION Conopco, Inc., d/b./a UNILEVER (US) 2015-12-10 US disclosed
US-20150351393-A1 COMPOSITION Conopco, Inc., d/b./a UNILEVER (US) 2015-12-10 US disclosed
WO-2014118240-A1 ANTIMICROBIAL COMPOSITION COMPRISING A LACTAM AND A HYDROTROPE UNILEVER PLC (GB) 2014-08-07 WO disclosed
US-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
US-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
WO-2008040097-A1 FURANONE COMPOUNDS AND LACTAM ANALOGUES THEREOF BIOSIGNAL LIMITED (AU) 2008-04-10 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 (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-20150351393-A1 COMPOSITION CUTA, HAMP, CLPP BACE1 1384/4885KIF11 4226/4885NOTUM 2874/4885
US-20100035948-A1 Furanone compounds and lactam analogues thereof FDPS, CYP2C19, MRPL21 BACE1 345/4885KIF11 4519/4885NOTUM 274/4885

“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.