SCHEMBL5496399

SCHEMBL5496399

COc1ccc(C=Cc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 6/20 0.67
NFE2L2 Q16236 3/20 0.67
TRPA1 O75762 1/20 0.60
AHR P35869 2/20 0.58
CYP1A2 P05177 3/20 0.53
CYP1A1 P04798 3/20 0.53
CYP1B1 Q16678 3/20 0.53
ESR1 P03372 2/20 0.53
PTGS2 P35354 2/20 0.53
ABL1 P00519 1/20 0.53
TTR P02766 1/20 0.53
ABCB1 P08183 1/20 0.53
ALOX5 P09917 1/20 0.53
BCR P11274 1/20 0.53
CYP19A1 P11511 1/20 0.53
NQO2 P16083 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53

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
SCHEMBL5496397 1.00 RELA (0.67) RELANFE2L2TRPA1AHRCYP1A2
SCHEMBL17789115 0.81 RELA (0.76) RELANFE2L2TRPA1AHRCYP1A2
SCHEMBL5496081 0.80 RELA (1.00) RELANFE2L2TRPA1AHRCYP1A2
SCHEMBL5496090 0.80 RELA (1.00) RELANFE2L2TRPA1AHRCYP1A2
SCHEMBL13790336 0.79 RELA (0.81) RELANFE2L2TRPA1AHRCYP1A2
SCHEMBL14950253 0.79 RELA (0.81) RELANFE2L2TRPA1AHRCYP1A2
SCHEMBL699458 0.79 RELA (0.81) RELANFE2L2TRPA1AHRCYP1A2
SCHEMBL4881152 0.79 RELA (0.81) RELANFE2L2TRPA1AHRCYP1A2
SCHEMBL631998 0.79 RELA (0.81) RELANFE2L2TRPA1AHRCYP1A2
SCHEMBL699457 0.79 RELA (0.81) RELANFE2L2TRPA1AHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925153-B2 Therapeutic agents for skin diseases and conditions STC.UNM (US) 2018-03-27 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-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

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-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS CUTA, TSLP, ELANE RELA 29/4885NFE2L2 696/4885TRPA1 1457/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 RELA 12/4885NFE2L2 68/4885TRPA1 1533/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 RELA 10/4885NFE2L2 63/4885TRPA1 1056/4885

“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.