SCHEMBL1464628

SCHEMBL1464628

FC1(c2ccccc2)OC1(F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.42
MAOA P21397 4/20 0.42
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
CFTR P13569 1/20 0.32
GOPC Q9HD26 1/20 0.32

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
SCHEMBL2235361 0.78 MAOB (0.35) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL28812714 0.76 MAOB (0.36) MAOBMAOAOPRM1OPRL1
SCHEMBL1698175 0.75 CA1 (0.37) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL9488195 0.69 OPRM1 (0.36) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL74066 0.69 OPRM1 (0.36) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL13873625 0.67 MAOB (0.35) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL3972311 0.67 MAOB (0.38) MAOBMAOAOPRM1OPRL1
SCHEMBL29478279 0.67 MAOB (0.44) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL27906055 0.67 MAOB (0.34) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL6735829 0.67 CNR1 (0.38) MAOBMAOACFTRGOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9138398-B2 Cationic alcohols and uses thereof LIVING PROOF, INC. (US) 2015-09-22 US disclosed
US-20130156719-A1 CATIONIC ALCOHOLS AND USES THEREOF LIVING PROOF, INC. (US) 2013-06-20 US disclosed
US-8404221-B2 Cationic alcohols and uses thereof LIVING PROOF, INC. (US) 2013-03-26 US disclosed
US-20120276036-A1 CATIONIC ALCOHOLS AND USES THEREOF LIVING PROOF, INC. (US) 2012-11-01 US disclosed
US-8242309-B2 Cationic alcohols and uses thereof LIVING PROOF, INC. (US) 2012-08-14 US disclosed
EP-2477486-A1 CATIONIC ALCOHOLS AND USES THEREOF Living Proof, Inc. (US) 2012-07-25 EP disclosed
WO-2011035034-A1 CATIONIC ALCOHOLS AND USES THEREOF LIVING PROOF, INC. (US) 2011-03-24 WO disclosed
US-20110070179-A1 CATIONIC ALCOHOLS AND USES THEREOF LIVING PROOF, INC. (US) 2011-03-24 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 (3 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-20130156719-A1 CATIONIC ALCOHOLS AND USES THEREOF ADH1A, ADH1C, TRPV1 MAOB 1454/4885MAOA 1295/4885HTR2A 138/4885
US-20120276036-A1 CATIONIC ALCOHOLS AND USES THEREOF ADH1A, ADH1C, TRPV1 MAOB 1454/4885MAOA 1295/4885HTR2A 138/4885
US-20110070179-A1 CATIONIC ALCOHOLS AND USES THEREOF ADH1A, ADH1C, TRPV1 MAOB 1454/4885MAOA 1295/4885HTR2A 138/4885

“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.