SCHEMBL16009934

SCHEMBL16009934

COc1cc(I)c(C(C)=O)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.66
USP2 O75604 1/20 0.66
MAPK1 P28482 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
KMT2A Q03164 1/20 0.54
ABCG2 Q9UNQ0 3/20 0.46
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
RIN1 Q13671 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL2029772 0.86 CYP3A4 (0.78) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL31335763 0.85 CYP3A4 (0.51) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
Xanthoxylin SCHEMBL29349586 0.79 CYP3A4 (1.00) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
Xanthoxylin SCHEMBL44708 0.79 CYP3A4 (1.00) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL16018016 0.79 CYP3A4 (0.68) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
Xanthoxylin SCHEMBL28802531 0.78 CYP3A4 (0.96) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL2203125 0.78 CYP3A4 (0.66) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL12303218 0.76 CYP3A4 (0.64) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL5209995 0.76 CYP3A4 (0.53) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL23167800 0.75 CYP3A4 (0.62) CYP3A4USP2MAPK1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10470986-B2 Resorcinol compounds for dermatological use CONOPCO, INC. (US) 2019-11-12 US disclosed
US-10470986-B2 Resorcinol compounds for dermatological use CONOPCO, INC. (US) 2019-11-12 US disclosed
EP-2964182-B1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE UNILEVER PLC A COMPANY REGISTERED IN ENGLAND AND WALES UNDER COMPANY NO 41424 OF (GB) 2018-02-14 EP disclosed
EP-2964182-B1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE UNILEVER PLC A COMPANY REGISTERED IN ENGLAND AND WALES UNDER COMPANY NO 41424 OF (GB) 2018-02-14 EP disclosed
EP-2964182-A2 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE Unilever PLC, a company registered in England and Wales under company no. 41424 of (GB) 2016-01-13 EP disclosed
US-20160000669-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE CONOPCO, INC., D/B/A UNILEVER (US) 2016-01-07 US disclosed
US-20160000669-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE CONOPCO, INC., D/B/A UNILEVER (US) 2016-01-07 US disclosed
US-20160000669-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE CONOPCO, INC., D/B/A UNILEVER (US) 2016-01-07 US disclosed
WO-2014138471-A2 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE AMPERE LIFE SCIENCES, INC. (US) 2014-09-12 WO disclosed
WO-2014138471-A2 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE AMPERE LIFE SCIENCES, INC. (US) 2014-09-12 WO disclosed
US-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE UNILEVER N.V. (NL) 2014-09-11 US disclosed
US-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE UNILEVER N.V. (NL) 2014-09-11 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 (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-20160000669-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE NQO1, RBP4, KEAP1 CYP3A4 1742/4885USP2 974/4885MAPK1 2819/4885
US-20140256830-A1 RESORCINOL COMPOUNDS FOR DERMATOLOGICAL USE NQO1, RBP4, KEAP1 CYP3A4 1742/4885USP2 974/4885MAPK1 2819/4885
US-10470986-B2 Resorcinol compounds for dermatological use NQO1, RBP4, KEAP1 CYP3A4 1742/4885USP2 974/4885MAPK1 2819/4885

“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.