SCHEMBL5492879

SCHEMBL5492879

COc1ccc(C=Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.74
RELA Q04206 3/20 0.67
TRPA1 O75762 1/20 0.65
NFE2L2 Q16236 3/20 0.64
MAOB P27338 2/20 0.64
MAOA P21397 1/20 0.64
CYP1A2 P05177 3/20 0.63
CYP1A1 P04798 3/20 0.63
CYP1B1 Q16678 3/20 0.63
ESR1 P03372 2/20 0.63
PTGS2 P35354 2/20 0.63
ABL1 P00519 1/20 0.63
TTR P02766 1/20 0.63
ABCB1 P08183 1/20 0.63
ALOX5 P09917 1/20 0.63
BCR P11274 1/20 0.63
CYP19A1 P11511 1/20 0.63
NQO2 P16083 1/20 0.63
TUBB4A P04350 1/20 0.63
TUBB P07437 1/20 0.63

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
SCHEMBL18416525 1.00 AHR (0.74) AHRRELATRPA1NFE2L2MAOB
SCHEMBL5492873 1.00 AHR (0.74) AHRRELATRPA1NFE2L2MAOB
SCHEMBL17367876 0.91 AHR (0.63) AHRRELATRPA1NFE2L2MAOB
SCHEMBL9580422 0.90 ALDH1A1 (0.70) AHRRELATRPA1NFE2L2MAOB
SCHEMBL9580415 0.90 ALDH1A1 (0.70) AHRRELATRPA1NFE2L2MAOB
SCHEMBL14950253 0.88 RELA (0.81) AHRRELATRPA1NFE2L2CYP1A2
SCHEMBL4881152 0.88 RELA (0.81) AHRRELATRPA1NFE2L2CYP1A2
SCHEMBL13790336 0.88 RELA (0.81) AHRRELATRPA1NFE2L2CYP1A2
SCHEMBL699457 0.88 RELA (0.81) AHRRELATRPA1NFE2L2CYP1A2
SCHEMBL631998 0.88 RELA (0.81) AHRRELATRPA1NFE2L2CYP1A2

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 6 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
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-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 AHR 745/4885RELA 29/4885TRPA1 1457/4885
US-20070249647-A1 Substituted CIS- and trans-stilbenes as therapeutic agents TGFB1, VHL, TMSB10 AHR 858/4885RELA 12/4885TRPA1 1533/4885
US-20130178536-A1 SUBSTITUTED CIS- AND TRANS-STILBENES AS THERAPEUTIC AGENTS PSEN1, TERT, PSEN2 AHR 488/4885RELA 10/4885TRPA1 1056/4885

“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.