SCHEMBL16018019

SCHEMBL16018019

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERN1 O75460 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 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
SCHEMBL10202032 0.76 TAAR1 (0.47) TAAR1CA1CA2CA12CA7
SCHEMBL13765722 0.76 TAAR1 (0.44) TAAR1CA1CA2CYP3A4ALDH1A1
SCHEMBL1476208 0.76 HSD11B1 (0.41) TAAR1CA1CA2CYP3A4ALDH1A1
SCHEMBL26354178 0.73 ALDH1A1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL11436174 0.73 ALDH1A1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL3102853 0.72 L3MBTL1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL27745464 0.72 LMNA (0.39) MAPK1LMNAAKR1C3AKR1C2
SCHEMBL14767338 0.71 TAAR1 (0.47) TAAR1CA1CA2CYP3A4ALDH1A1
SCHEMBL19556689 0.71 ALDH1A1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL1474395 0.71 TAAR1 (0.42) TAAR1CA1CA2CYP3A4ALDH1A1

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 4655/4885CA1 4880/4885CA2 4618/4885
US-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE NQO1, RBP4, KEAP1 TAAR1 4655/4885CA1 4880/4885CA2 4618/4885

“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.