SCHEMBL16018034

SCHEMBL16018034

COc1cc(F)c(C(C)C)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 5/20 0.37
CYP1A1 P04798 4/20 0.37
CYP1B1 Q16678 4/20 0.37
MAOA P21397 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL10290881 0.87 TAAR1 (0.47) TAAR1CA12CA1CA2CA7
SCHEMBL11983792 0.85 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL13913528 0.82 PDE3B (0.35) ALDH1A1CYP1A2MAOACYP3A4MAOB
SCHEMBL20226996 0.80 ACHE (0.45) ALDH1A1CYP3A4
SCHEMBL19658032 0.80 TAAR1 (0.41) TAAR1ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL13748180 0.80 TAAR1 (0.41) TAAR1ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL20375023 0.80 TAAR1 (0.41) TAAR1ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL20226999 0.78 PDE3B (0.37)
SCHEMBL27733385 0.78 ERN1 (0.36)
SCHEMBL16018014 0.78 CYP3A4 (0.47) TAAR1CA1CA2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000669-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE CONOPCO, INC., D/B/A UNILEVER (US) 2016-01-07 US disclosed
US-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE UNILEVER N.V. (NL) 2014-09-11 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 (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-20160000669-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE NQO1, RBP4, KEAP1 TAAR1 4655/4885CA12 4722/4885CA1 4880/4885
US-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE NQO1, RBP4, KEAP1 TAAR1 4655/4885CA12 4722/4885CA1 4880/4885

“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.