SCHEMBL5498225

SCHEMBL5498225

COc1ccc(C=Cc2cc(OC)c(OC)cc2OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 0.74
CYP1B1 Q16678 10/20 0.74
CYP1A2 P05177 8/20 0.74
NFE2L2 Q16236 2/20 0.74
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
TUBB1 Q9H4B7 5/20 0.68
CYP19A1 P11511 3/20 0.61

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
SCHEMBL5498223 1.00 CYP1A1 (0.74) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A
SCHEMBL19583362 0.96 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A
SCHEMBL19583363 0.96 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A
SCHEMBL3753811 0.94 CYP1A1 (0.77) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A
SCHEMBL13443550 0.94 CYP1A1 (0.77) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A
SCHEMBL16274063 0.89 CYP1A1 (0.70) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A
SCHEMBL13409617 0.88 RELA (0.70) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A
SCHEMBL17589619 0.86 CYP1A1 (0.66) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A
SCHEMBL5495428 0.85 CYP1A2 (1.00) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A
SCHEMBL13926063 0.85 CYP1A1 (0.86) CYP1A1CYP1B1CYP1A2NFE2L2TUBB4A

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 CYP1A1 1445/4885CYP1B1 1256/4885CYP1A2 1332/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 CYP1A1 874/4885CYP1B1 713/4885CYP1A2 1159/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 CYP1A1 809/4885CYP1B1 936/4885CYP1A2 1201/4885

“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.