SCHEMBL5495428

SCHEMBL5495428

COc1ccc(/C=C/c2ccc(OC)cc2OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 1.00
CYP1A1 P04798 15/20 1.00
CYP1B1 Q16678 15/20 1.00
NFE2L2 Q16236 2/20 1.00
CYP19A1 P11511 2/20 0.81
CYP3A4 P08684 2/20 0.77
CYP2C19 P33261 2/20 0.77
CYP2E1 P05181 1/20 0.77
CYP2C8 P10632 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2A6 P11509 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP4B1 P13584 1/20 0.77
CYP2B6 P20813 1/20 0.77
CYP3A5 P20815 1/20 0.77
CYP2A7 P20853 1/20 0.77
CYP3A7 P24462 1/20 0.77
CYP2F1 P24903 1/20 0.77
CYP2C18 P33260 1/20 0.77
CYP2J2 P51589 1/20 0.77

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
SCHEMBL5495431 1.00 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL13926063 0.93 CYP1A1 (0.86) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL30342416 0.91 CYP1A2 (0.83) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL25706432 0.90 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL1976945 0.90 CYP1A2 (0.81) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL14401250 0.89 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL5498411 0.89 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL5498406 0.89 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL19583362 0.89 CYP1A1 (0.79) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1
SCHEMBL19583363 0.89 CYP1A1 (0.79) CYP1A2CYP1A1CYP1B1NFE2L2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE TRUJILLO KRISTINA (US) 2022-01-27 US disclosed
US-20200397676-A1 COSMETIC COMPOSITIONS AND METHODS OF USE K&K BIOTECH (US) 2020-12-24 US disclosed
WO-2020112998-A1 COSMETIC COMPOSITIONS AND METHODS OF USE STC.UNM (US) 2020-06-04 WO disclosed
US-20190160021-A1 Substituted Stilbenes as Inhibitors of NF-kappaB and Activators of Nrf2 STC UNM (US) 2019-05-30 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-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 (6 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-20190160021-A1 Substituted Stilbenes as Inhibitors of NF-kappaB and Activators of Nrf2 NFKBIA, NFE2L2, NFKB2 CYP1A2 2222/4885CYP1A1 1557/4885CYP1B1 542/4885
US-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS CUTA, TSLP, ELANE CYP1A2 1332/4885CYP1A1 1445/4885CYP1B1 1256/4885
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE NFKBIA, IKBKB, NFKB2 CYP1A2 2168/4885CYP1A1 1728/4885CYP1B1 292/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 CYP1A2 1159/4885CYP1A1 874/4885CYP1B1 713/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 CYP1A2 1201/4885CYP1A1 809/4885CYP1B1 936/4885
US-20200397676-A1 COSMETIC COMPOSITIONS AND METHODS OF USE KEAP1, NFE2L2, NQO1 CYP1A2 1921/4885CYP1A1 1557/4885CYP1B1 270/4885

“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.