SCHEMBL5498411

SCHEMBL5498411

COc1ccc(C=Cc2ccccc2)c(OC)c1

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 4/20 0.81
CYP3A4 P08684 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP2E1 P05181 1/20 0.73
CYP2C8 P10632 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2A6 P11509 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP4B1 P13584 1/20 0.73
CYP2B6 P20813 1/20 0.73
CYP3A5 P20815 1/20 0.73
CYP2A7 P20853 1/20 0.73
CYP3A7 P24462 1/20 0.73
CYP2F1 P24903 1/20 0.73
CYP2C18 P33260 1/20 0.73
CYP2J2 P51589 1/20 0.73
CYP4F2 P78329 1/20 0.73

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
SCHEMBL14401250 1.00 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL5498406 1.00 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
Nitrogen SCHEMBL8500959 0.95 CYP1A2 (0.91) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL2622576 0.92 CYP1A2 (0.84) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL5495428 0.89 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL5495431 0.89 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL175880 0.87 CYP1A2 (0.89) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL175881 0.87 CYP1A2 (0.89) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL25706432 0.87 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4
SCHEMBL1067296 0.86 CYP1A1 (0.76) 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 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-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM 2016-10-06 US disclosed
US-9101920-B2 Palladium catalyst, method for its preparation and its use H4SEP KFT (HU) 2015-08-11 US disclosed
US-9056314-B2 Palladium catalyst, method for its preparation and its use H4SEP KFT (HU) 2015-06-16 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-20140012004-A1 NEW PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE H4SEP KFT (HU) 2014-01-09 US disclosed
US-20130281700-A1 PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE CHINOIN GYOGYSZER-ES VEGYESZETI TER-MEKEK GYARA ZRT (HU) 2013-10-24 US disclosed
EP-2651856-A1 A NEW PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE H4 Sep Kft (HU) 2013-10-23 EP disclosed
CN-103242167-A Amine compound, electrophotographic photoconductor, image forming method, image forming apparatus, and process cartridge RICOH CO LTD 2013-08-14 CN disclosed
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS STC.UNM (US) 2013-07-11 US disclosed
CN-101919830-B Novel application of 2,4-dimethoxyl trans-stilbene INST BASIC MED SCIENCES PLA 2013-07-03 CN disclosed
WO-2012093271-A1 A NEW PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE H4SEP KFT (HU) 2012-07-12 WO disclosed
CN-101919830-A Novel application of 2,4-dimethoxyl trans-stilben INST BASIC MED SCIENCES PLA 2010-12-22 CN disclosed
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents REGENTS OF THE UNIVERSITY OF NEW MEXICO 2007-10-25 US disclosed
EP-1063264-B1 Reaction product, process of producing same, electrophotographic photoconductor using same, electrophotographic apparatus having the photoconductor, and process cartridge for electrophotographic apparatus RICOH KK (JP) 2006-03-01 EP disclosed
CN-1058369-C Pest control chemicals against pine wood nematodes KIORITZ CORP (JP) 2000-11-15 CN 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 (5 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 CYP1A2 1332/4885CYP1A1 1445/4885CYP1B1 1256/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 CYP1A2 1159/4885CYP1A1 874/4885CYP1B1 713/4885
US-20130281700-A1 PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE PDS5A, DDT, PDS5B CYP1A2 1603/4885CYP1A1 1168/4885CYP1B1 1446/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 CYP1A2 1201/4885CYP1A1 809/4885CYP1B1 936/4885
US-20140012004-A1 NEW PALLADIUM CATALYST, METHOD FOR ITS PREPARATION AND ITS USE DDT, PDS5A, PDS5B CYP1A2 2114/4885CYP1A1 1714/4885CYP1B1 1918/4885

“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.