SCHEMBL5501588

SCHEMBL5501588

COc1ccc(C=Cc2cc(OC)ccc2OC)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.81
CYP19A1 P11511 3/20 0.81
CYP1A1 P04798 9/20 0.81
CYP1B1 Q16678 9/20 0.81
CYP1A2 P05177 8/20 0.77
TLR9 Q9NR96 1/20 0.70
TUBB4A P04350 5/20 0.68
TUBB P07437 5/20 0.68
TUBA3C P0DPH7 5/20 0.68
TUBA1B P68363 5/20 0.68
TUBA4A P68366 5/20 0.68
TUBB4B P68371 5/20 0.68
TUBB3 Q13509 5/20 0.68
TUBB2A Q13885 5/20 0.68
TUBB8 Q3ZCM7 5/20 0.68
TUBA3E Q6PEY2 5/20 0.68
TUBA1A Q71U36 5/20 0.68
TUBA1C Q9BQE3 5/20 0.68
TUBB6 Q9BUF5 5/20 0.68
TUBB2B Q9BVA1 5/20 0.68

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
SCHEMBL5501583 1.00 NFE2L2 (0.81) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL8864519 0.90 NFE2L2 (0.72) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL4580454 0.90 CYP19A1 (1.00) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL20995857 0.90 NFE2L2 (1.00) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL29814899 0.90 CYP19A1 (1.00) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL4580457 0.90 CYP19A1 (1.00) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL8864522 0.90 NFE2L2 (0.72) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL20995862 0.90 NFE2L2 (1.00) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL11877451 0.89 CYP1A1 (0.67) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2
SCHEMBL1067296 0.89 CYP1A1 (0.76) NFE2L2CYP19A1CYP1A1CYP1B1CYP1A2

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 5 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
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 NFE2L2 696/4885CYP19A1 564/4885CYP1A1 1445/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 NFE2L2 68/4885CYP19A1 143/4885CYP1A1 874/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 NFE2L2 63/4885CYP19A1 50/4885CYP1A1 809/4885

“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.