SCHEMBL9976124

SCHEMBL9976124

NCc1cc2cccc3ccc4cccc1c4c32

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
ERBB2 P04626 1/20 0.52
FYN P06241 1/20 0.52
MAOA P21397 1/20 0.52
ACHE P22303 1/20 0.52
AHR P35869 1/20 0.52
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
THRB P10828 1/20 0.46
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTR2A P28223 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 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
SCHEMBL29714773 0.83 KMT2A (0.51) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL497038 0.83 KMT2A (0.51) CYP1A2ERBB2FYNMAOAACHE
Water SCHEMBL28455416 0.82 KMT2A (0.50) CYP1A2ERBB2FYNMAOAACHE
Hydrochloric Acid SCHEMBL29441801 0.82 KMT2A (0.50) CYP1A2ERBB2FYNMAOAACHE
Hydrochloric Acid SCHEMBL27843487 0.82 KMT2A (0.50) CYP1A2ERBB2FYNMAOAACHE
Hydrochloric Acid SCHEMBL14993313 0.82 KMT2A (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL975512 0.82 CYP1A2 (0.53) CYP1A2ERBB2FYNMAOAACHE
Iodide SCHEMBL17782949 0.82 KMT2A (0.50) CYP1A2ERBB2FYNMAOAACHE
Hydrochloric Acid SCHEMBL466304 0.82 KMT2A (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL7665539 0.80 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9412955-B2 Fluorescent isoindoline dyes UNIVERSAL DISPLAY CORPORATION (US) 2016-08-09 US disclosed
US-20150318494-A1 Fluorescent Isoindoline Dyes UNIV SOUTHERN CALIFORNIA (US) 2015-11-05 US disclosed
US-9079885-B2 Fluorescent isoindoline dyes THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-07-14 US disclosed
US-20120196989-A1 SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-08-02 US disclosed
US-20120196989-A1 SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-08-02 US disclosed
US-20120153266-A1 FLUORESCENT ISOINDOLINE DYES THE UNIVERSITY OF SOUTHERN CALIFORNIA 2012-06-21 US disclosed
US-20110124840-A1 Synthesis of Homopolymers and Block Copolymers INTEZYNE TECHNOLOGIES, INC. 2011-05-26 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-20110124840-A1 Synthesis of Homopolymers and Block Copolymers PARG, PCNA, PARN CYP1A2 1901/4885ERBB2 262/4885FYN 906/4885
US-20150318494-A1 Fluorescent Isoindoline Dyes OCIAD1, OCIAD2, OXA1L CYP1A2 1092/4885ERBB2 4374/4885FYN 4553/4885
US-20120153266-A1 FLUORESCENT ISOINDOLINE DYES OCIAD1, OCIAD2, OXA1L CYP1A2 1092/4885ERBB2 4374/4885FYN 4553/4885

“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.