SCHEMBL5492358

SCHEMBL5492358

COc1ccc(/C=C/c2ccc(C#N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.59
TRPA1 O75762 1/20 0.59
CYP1A2 P05177 4/20 0.57
CYP1A1 P04798 3/20 0.57
CYP1B1 Q16678 3/20 0.57
ESR1 P03372 2/20 0.57
PTGS2 P35354 2/20 0.57
TUBB4A P04350 2/20 0.57
TUBB P07437 2/20 0.57
TUBA3C P0DPH7 2/20 0.57
AHR P35869 2/20 0.57
TUBA1B P68363 2/20 0.57
TUBA4A P68366 2/20 0.57
TUBB4B P68371 2/20 0.57
TUBB3 Q13509 2/20 0.57
TUBB2A Q13885 2/20 0.57
TUBB8 Q3ZCM7 2/20 0.57
TUBA3E Q6PEY2 2/20 0.57
TUBA1A Q71U36 2/20 0.57
TUBA1C Q9BQE3 2/20 0.57

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
SCHEMBL5492365 1.00 RELA (0.59) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL103904 0.87 MAOB (0.61) CYP1A2CYP19A1KDM4ECYP3A4TSHR
1,4-Dimethoxybenzene SCHEMBL28617696 0.87 MAOB (0.61) CYP1A2CYP19A1KDM4ECYP3A4TSHR
SCHEMBL30757515 0.87 MAOB (0.61) CYP1A2CYP19A1KDM4ECYP3A4TSHR
SCHEMBL30250275 0.85 MAOA (0.59) CYP19A1ALDH1A1SNCA
SCHEMBL13511001 0.84 TRPA1 (0.51) RELATRPA1CYP1A2CYP1A1CYP1B1
4-Methoxycinnamic Acid SCHEMBL8346565 0.84 THRB (0.76) RELAPTGS2CYP3A4LMNAALDH1A1
4-Methoxycinnamic Acid SCHEMBL8346567 0.84 THRB (0.76) RELAPTGS2CYP3A4LMNAALDH1A1
SCHEMBL13247235 0.83 RELA (0.63) RELATRPA1CYP1A2CYP1A1CYP1B1
SCHEMBL20032249 0.83 PARP15 (0.52) CYP19A1KDM4ELMNAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200284946-A1 ORGANIC OPTICAL MATERIAL JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-09-10 US disclosed
EP-3674381-A1 ORGANIC OPTICAL MATERIAL Japan Science and Technology Agency (JP) 2020-07-01 EP 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
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-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-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 US disclosed
US-20060189788-A1 Cyclic ether copolymer, coating resin composition, optical devices, and process for production of the devices DAIKIN INDUSTRIES, LTD. (JP) 2006-08-24 US disclosed
US-20050004253-A1 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD 2005-01-06 US disclosed
EP-1406116-A1 NONLINEAR OPTICAL MATERIAL CONTAINING FLUOROPOLYMER Daikin Industries, Ltd. (JP) 2004-04-07 EP disclosed
US-5565191-A SUNSCREEN AGENTS 3V INC. (US) 1996-10-15 US disclosed
EP-0658341-A1 Cosmetic and dermatological compositions for the protection against UV radiation containing stilbene derivatives 3V SIGMA S.p.A (IT) 1995-06-21 EP 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 (4 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-20200284946-A1 ORGANIC OPTICAL MATERIAL SLC43A1, SLCO4C1, SLCO1A2 RELA 179/4885TRPA1 29/4885CYP1A2 2498/4885
US-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS CUTA, TSLP, ELANE RELA 29/4885TRPA1 1457/4885CYP1A2 1332/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 RELA 12/4885TRPA1 1533/4885CYP1A2 1159/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 RELA 10/4885TRPA1 1056/4885CYP1A2 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.