SCHEMBL5499301

SCHEMBL5499301

COc1ccc(C=Cc2cccc(C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 6/20 1.00
NFE2L2 Q16236 3/20 0.67
APP P05067 1/20 0.67
TRPA1 O75762 1/20 0.66
TUBB1 Q9H4B7 3/20 0.58
PTGS2 P35354 3/20 0.58
ESR1 P03372 2/20 0.58
TUBB4A P04350 2/20 0.58
TUBB P07437 2/20 0.58
TUBA3C P0DPH7 2/20 0.58
TUBA1B P68363 2/20 0.58
TUBA4A P68366 2/20 0.58
TUBB4B P68371 2/20 0.58
TUBB3 Q13509 2/20 0.58
TUBB2A Q13885 2/20 0.58
TUBB8 Q3ZCM7 2/20 0.58
TUBA3E Q6PEY2 2/20 0.58
TUBA1A Q71U36 2/20 0.58
TUBA1C Q9BQE3 2/20 0.58
TUBB6 Q9BUF5 2/20 0.58

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
SCHEMBL5499297 1.00 RELA (1.00) RELANFE2L2APPTRPA1TUBB1
SCHEMBL5494942 0.91 RELA (0.82) RELANFE2L2APPTRPA1TUBB1
SCHEMBL5494946 0.91 RELA (0.82) RELANFE2L2APPTRPA1TUBB1
SCHEMBL10338773 0.88 RELA (0.85) RELANFE2L2APPTRPA1TUBB1
SCHEMBL10031841 0.87 RELA (0.77) RELANFE2L2APPTRPA1PTGS2
SCHEMBL29673932 0.86 RELA (0.74) RELANFE2L2PTGS2CYP19A1ALOX5
SCHEMBL1179749 0.86 RELA (0.74) RELANFE2L2PTGS2CYP19A1ALOX5
SCHEMBL1179750 0.86 RELA (0.74) RELANFE2L2PTGS2CYP19A1ALOX5
SCHEMBL18240763 0.85 RELA (0.74) RELANFE2L2APPTRPA1TUBB1
SCHEMBL3395995 0.85 RELA (0.74) RELANFE2L2TUBB1PTGS2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980954-B2 Substituted cis- and trans-stilbenes as therapeutic agents STC.UNM (US) 2015-03-17 US claimed
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 696/4885APP 475/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 RELA 12/4885NFE2L2 68/4885APP 546/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 RELA 10/4885NFE2L2 63/4885APP 4/4885

“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.