SCHEMBL16018014

SCHEMBL16018014

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
TAAR1 Q96RJ0 1/20 0.40
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
ALDH1A1 P00352 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ERN1 O75460 1/20 0.37
HPGD P15428 1/20 0.36
PTPN1 P18031 1/20 0.36
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TRIM24 O15164 1/20 0.34

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 0.86 TAAR1 (0.47) CYP3A4TAAR1ALDH1A1PTGS2CA1
SCHEMBL17402434 0.79 AHR (0.37) CYP3A4TAAR1HPGDTDP1CA1
SCHEMBL16018012 0.78 CYP3A4 (0.54) CYP3A4ABL1ABCB1BCRALDH1A1
SCHEMBL25955631 0.78 MAPK1 (0.50) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL31439156 0.78 MAPK1 (0.50) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL20375023 0.78 TAAR1 (0.41) CYP3A4TAAR1ALDH1A1HPGDPTPN1
SCHEMBL19658032 0.78 TAAR1 (0.41) CYP3A4TAAR1ALDH1A1MAPK1PTGS2
SCHEMBL16018034 0.78 TAAR1 (0.41) CYP3A4TAAR1ALDH1A1CA1CA2
SCHEMBL13748180 0.78 TAAR1 (0.41) TAAR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25918855 0.78 TAAR1 (0.44) CYP3A4TAAR1ALDH1A1PTGS2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE NQO1, RBP4, KEAP1 CYP3A4 1742/4885TAAR1 4655/4885ABL1 4693/4885

“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.