SCHEMBL659915

SCHEMBL659915

BrC(Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.43
IDO1 P14902 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
AGXT P21549 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
MAOA P21397 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL6215110 0.84 IDO1 (0.47) IDO1CYP2D6TAAR1PPARGPPARA
SCHEMBL2400378 0.81 IDO1 (0.47) TSHREPHX1IDO1TAAR1SLC6A2
SCHEMBL455196 0.81 TSHR (0.44) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL8200897 0.81 TAAR1 (0.43) EPHX1CYP2D6TAAR1SLC6A2SLC6A4
SCHEMBL8784163 0.79 EPHX1 (0.48) TSHREPHX1CYP1A2CYP2D6TAAR1
SCHEMBL3276722 0.79 TSHR (0.52) TSHREPHX1IDO1SLC1A3SLC1A2
SCHEMBL28631602 0.79 TSHR (0.52) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL1357788 0.78 SLC1A3 (0.50) TSHREPHX1IDO1SLC1A3SLC1A2
SCHEMBL3359525 0.78 TSHR (0.41) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL7332513 0.76 CYP2D6 (0.50) TSHRCYP2D6TAAR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101812144-B late transition metal olefin polymerization catalyst and preparation method thereof PETROCHINA CO LTD 2012-03-07 CN disclosed
US-20120045840-A1 CHROMOPHORE AND POLYMER CAPABLE OF DETECTING THE PRESENCE OF VARIOUS NEUROTOXINS AND METHOD OF USE NDSU-RESEARCH FOUNDATION (US) 2012-02-23 US disclosed
US-7910058-B2 Chromophore and polymer capable of detecting the presence of various neurotoxins and method of use NDSU—Research Foundation (US) 2011-03-22 US disclosed
US-7897402-B2 Chromophore and polymer capable of detecting the presence of various neurotoxins and method of use NDSU-RESEARCH FOUNDATION (US) 2011-03-01 US disclosed
US-20110028721-A1 Chromophore and Polymer Capable of Detecting the Presence of Various Neurotoxins and Method of Use NDSU-RESEARCH FOUNDATION (US) 2011-02-03 US disclosed
US-20110027896-A1 CHROMOPHORE AND POLYMER CAPABLE OF DETECTING THE PRESENCE OF VARIOUS NEUROTOXINS AND METHOD OF USE NDSU-RESEARCH FOUNDATION (US) 2011-02-03 US disclosed
CN-101812144-A Late transition metal olefin polymerization catalyst and preparation method thereof PETROCHINA CO LTD 2010-08-25 CN disclosed
US-7700040-B2 Neurotoxin sensor based on chromophoric polymers NDSU-RESEARCH FOUNDATION (US) 2010-04-20 US disclosed
US-20080138912-A1 Chromophore and polymer capable of detecting the presence of various neurotoxins and method of use NORTH DAKOTA STATE UNIVERSITY (US) 2008-06-12 US disclosed
WO-2006081345-A1 CHROMOPHORE AND POLYMER CAPABLE OF DETECTING THE PRESENCE OF VARIOUS NEUROTOXINS AND METHOD OF USE NORTH DAKOTA STATE UNIVERSITY (US) 2006-08-03 WO 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 (1 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-20110028721-A1 Chromophore and Polymer Capable of Detecting the Presence of Various Neurotoxins and Method of Use DDT, MB, CACYBP TSHR 1143/4885EPHX1 2131/4885IDO1 3099/4885

“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.