SCHEMBL5495964

SCHEMBL5495964

COc1ccc(/C=C/c2ccc(O)c(O)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 1.00
RELA Q04206 1/20 1.00
ALOX5 P09917 4/20 0.77
NFE2L2 Q16236 1/20 0.74
PTGS2 P35354 3/20 0.67
ALOX12 P18054 3/20 0.67
PTGS1 P23219 2/20 0.67
KDM4E B2RXH2 2/20 0.67
LMNA P02545 2/20 0.67
CYP1A1 P04798 2/20 0.67
CYP1B1 Q16678 2/20 0.67
LCK P06239 3/20 0.65
MMP2 P08253 2/20 0.61
MMP9 P14780 2/20 0.61
MMP1 P03956 1/20 0.61
CYP1A2 P05177 2/20 0.60
TTR P02766 2/20 0.60
ESR1 P03372 2/20 0.60
PTPN1 P18031 2/20 0.60
RGS12 O14924 1/20 0.60

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
SCHEMBL5495966 1.00 NQO2 (1.00) NQO2RELAALOX5NFE2L2PTGS2
SCHEMBL30940357 1.00 NQO2 (1.00) NQO2RELAALOX5NFE2L2PTGS2
SCHEMBL30603258 0.87 ALOX5 (1.00) NQO2RELAALOX5PTGS2ALOX12
SCHEMBL17534875 0.87 ALOX5 (1.00) NQO2RELAALOX5PTGS2ALOX12
SCHEMBL13222741 0.87 ALOX5 (1.00) NQO2RELAALOX5PTGS2ALOX12
SCHEMBL6781126 0.85 NQO2 (0.78) NQO2RELAALOX5NFE2L2PTGS2
SCHEMBL614483 0.85 NFE2L2 (1.00) NQO2RELAALOX5NFE2L2PTGS2
SCHEMBL20223711 0.85 RELA (0.74) NQO2RELAALOX5NFE2L2PTGS2
SCHEMBL13926062 0.85 RELA (0.74) NQO2RELAALOX5NFE2L2PTGS2
SCHEMBL6781119 0.85 NQO2 (0.78) NQO2RELAALOX5NFE2L2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018437-A1 TREATMENT OF INFLAMMATORY AND INFECTIOUS SKIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-01-16 US claimed
US-20210228501-A1 Formulation and Process for Modulating Wound Healing BioMendics, LLC (US) 2021-07-29 US disclosed
US-10426742-B2 Formulation and process for modulating wound healing BioMendics, LLC (US) 2019-10-01 US disclosed
US-20190022029-A1 Formulation and Process for Modulating Wound Healing BioMendics, LLC (US) 2019-01-24 US disclosed
US-9925153-B2 Therapeutic agents for skin diseases and conditions STC.UNM (US) 2018-03-27 US disclosed
US-9925153-B2 Therapeutic agents for skin diseases and conditions STC.UNM (US) 2018-03-27 US disclosed
US-20160296477-A1 Formulation and Process for Modulating Wound Healing BioMendics, LLC (US) 2016-10-13 US disclosed
US-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM 2016-10-06 US disclosed
US-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM 2016-10-06 US disclosed
WO-2015085143-A2 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM (US) 2015-06-11 WO disclosed
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US disclosed
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US disclosed
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US disclosed
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS STC.UNM (US) 2013-07-11 US disclosed
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 US disclosed
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 US disclosed
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 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 (7 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-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS CUTA, TSLP, ELANE NQO2 344/4885RELA 29/4885ALOX5 977/4885
US-20160296477-A1 Formulation and Process for Modulating Wound Healing SQSTM1, ATG7, TFEB NQO2 3288/4885RELA 672/4885ALOX5 3316/4885
US-20210228501-A1 Formulation and Process for Modulating Wound Healing ATG7, SQSTM1, ATF4 NQO2 3338/4885RELA 974/4885ALOX5 3274/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 NQO2 869/4885RELA 12/4885ALOX5 247/4885
US-10426742-B2 Formulation and process for modulating wound healing SQSTM1, ATG7, TFEB NQO2 3151/4885RELA 625/4885ALOX5 3195/4885
US-20190022029-A1 Formulation and Process for Modulating Wound Healing SQSTM1, ATG7, TFEB NQO2 3151/4885RELA 625/4885ALOX5 3195/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 NQO2 657/4885RELA 10/4885ALOX5 328/4885

“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.