SCHEMBL521926

SCHEMBL521926

FC(F)(F)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.59
CYP1A1 P04798 1/20 0.59
CYP1B1 Q16678 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
AHR P35869 1/20 0.59
PTGS1 P23219 1/20 0.59
NQO2 P16083 1/20 0.57
NFE2L2 Q16236 2/20 0.56
KIF11 P52732 1/20 0.56
CYP1A2 P05177 1/20 0.55
FBP1 P09467 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NR1H3 Q13133 1/20 0.50
HDAC3 O15379 1/20 0.50
ADAM17 P78536 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL22468790 1.00 MAOB (0.59) MAOBCYP1A1CYP1B1ALDH1A1TSHR
SCHEMBL521925 1.00 MAOB (0.59) MAOBCYP1A1CYP1B1ALDH1A1TSHR
SCHEMBL22931544 0.90 AHR (0.68) CYP1A1CYP1B1AHRPTGS1NQO2
SCHEMBL13790273 0.90 AHR (0.68) CYP1A1CYP1B1AHRPTGS1NQO2
SCHEMBL13790263 0.90 AHR (0.68) CYP1A1CYP1B1AHRPTGS1NQO2
SCHEMBL6418950 0.89 MAOB (0.58) MAOBCYP1A1CYP1B1ALDH1A1TSHR
SCHEMBL29507308 0.87 AHR (0.65) CYP1A1CYP1B1AHRPTGS1NQO2
SCHEMBL1981457 0.86 ALDH1A1 (0.59) MAOBCYP1A1CYP1B1ALDH1A1TSHR
SCHEMBL13267807 0.83 CA1 (0.68) AHRPTGS1NQO2KIF11CYP1A2
SCHEMBL11971113 0.82 CYP1A2 (0.86) MAOBCYP1A1CYP1B1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108570000-A A kind of drug for treating depression 郝惠敏 2018-09-25 CN disclosed
CN-108558754-A A kind of drug for treating depression 郝惠敏 2018-09-21 CN disclosed
CN-108558798-A A kind of drug for treating depression 郝惠敏 2018-09-21 CN 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
EP-2417082-B1 CATALYTIC WITTIG AND MITSUNOBU REACTIONS UNIV TEXAS (US) 2016-03-16 EP 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-8901365-B2 Catalytic Wittig and Mitsunobu reactions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-12-02 US disclosed
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS STC.UNM (US) 2013-07-11 US disclosed
US-20120029211-A1 Catalytic Wittig and Mitsunobu Reactions THE UNIVERSITY OF TEXAS AT ARLINGTON 2012-02-02 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
CN-1865206-A 2,5-diphenyl-1,4-distyyl benzene derivative and its uses in electroluminescent device UNIV JILIN (CN) 2006-11-22 CN disclosed
US-6392111-B1 REACTING AROMATIC COMPOUND WITH OLEFIN STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-05-21 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 MAOB 961/4885CYP1A1 1445/4885CYP1B1 1256/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 MAOB 1359/4885CYP1A1 874/4885CYP1B1 713/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 MAOB 933/4885CYP1A1 809/4885CYP1B1 936/4885

“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.