SCHEMBL5496418

SCHEMBL5496418

COc1ccc(/C=C/c2ccccc2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 9/20 1.00
APP P05067 2/20 0.72
CYP1A2 P05177 2/20 0.71
CYP1A1 P04798 1/20 0.71
CYP1B1 Q16678 1/20 0.71
TUBB4A P04350 3/20 0.68
TUBB P07437 3/20 0.68
TUBA3C P0DPH7 3/20 0.68
TUBA1B P68363 3/20 0.68
TUBA4A P68366 3/20 0.68
TUBB4B P68371 3/20 0.68
TUBB3 Q13509 3/20 0.68
TUBB2A Q13885 3/20 0.68
TUBB8 Q3ZCM7 3/20 0.68
TUBA3E Q6PEY2 3/20 0.68
TUBA1A Q71U36 3/20 0.68
TUBA1C Q9BQE3 3/20 0.68
TUBB6 Q9BUF5 3/20 0.68
TUBB2B Q9BVA1 3/20 0.68
ALOX5 P09917 1/20 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
SCHEMBL5496427 1.00 TUBB1 (1.00) TUBB1APPCYP1A2CYP1A1CYP1B1
SCHEMBL30873010 1.00 TUBB1 (1.00) TUBB1APPCYP1A2CYP1A1CYP1B1
SCHEMBL3393305 0.91 TUBB1 (0.83) TUBB1APPCYP1A2TUBB4ATUBB
Combretastatin A4 SCHEMBL8188814 0.91 TUBB1 (0.85) TUBB1APPCYP1A2CYP1A1CYP1B1
SCHEMBL30609589 0.88 TUBB1 (0.78) TUBB1APPCYP1A2CYP1A1TUBB4A
SCHEMBL15633028 0.88 TUBB1 (0.78) TUBB1APPCYP1A2CYP1A1TUBB4A
SCHEMBL15633027 0.88 TUBB1 (0.78) TUBB1APPCYP1A2CYP1A1TUBB4A
SCHEMBL6781126 0.86 NQO2 (0.78) TUBB1APPCYP1A1CYP1B1TUBB4A
SCHEMBL6781119 0.86 NQO2 (0.78) TUBB1APPCYP1A1CYP1B1TUBB4A
SCHEMBL2945375 0.86 NFE2L2 (0.75) TUBB1APPCYP1A2CYP1A1CYP1B1

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-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-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-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
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-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS STC.UNM (US) 2013-07-11 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 (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 TUBB1 15/4885APP 475/4885CYP1A2 1332/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 TUBB1 33/4885APP 546/4885CYP1A2 1159/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 TUBB1 120/4885APP 4/4885CYP1A2 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.