SCHEMBL991334

SCHEMBL991334

CCCCCCCCc1cc2c(cc1CCCCCCCC)c1ccsc1c1sccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.41
TYR P14679 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LIPG Q9Y5X9 2/20 0.39
TLR8 Q9NR97 4/20 0.37
LPL P06858 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34

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
SCHEMBL12270274 0.91 GPR35 (0.38) GPR35TYRTP53CYP3A4MEN1
SCHEMBL19206981 0.90 GPR35 (0.40) GPR35TYRTP53CYP3A4MEN1
SCHEMBL12270429 0.87 GPR35 (0.40) GPR35TYRTP53CYP3A4MEN1
SCHEMBL14876400 0.82 TLR8 (0.40) GPR35TYRTP53CYP3A4MEN1
SCHEMBL3372174 0.80 GPR35 (0.51) GPR35TYRTP53CYP3A4ALOX15
SCHEMBL991721 0.80 GPR35 (0.51) GPR35TYRTP53CYP3A4ALOX15
SCHEMBL324540 0.79 ALOX5 (0.47) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL12270368 0.79 GPR35 (0.45) GPR35TYRTP53CYP3A4MEN1
SCHEMBL3370849 0.78 GPR35 (0.49) GPR35TP53CYP3A4TLR8ESR1
SCHEMBL12821829 0.78 GPR35 (0.41) GPR35TYRTP53CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9184390-B2 Polymers with tunable band gaps for photonic and electronic applications THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-11-10 US disclosed
US-9184390-B2 Polymers with tunable band gaps for photonic and electronic applications THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-11-10 US disclosed
US-8440785-B2 Compositions, methods and polymers PLEXTRONICS, INC. (US) 2013-05-14 US disclosed
US-20130092912-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2013-04-18 US disclosed
US-20130092912-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2013-04-18 US disclosed
US-20110028644-A1 NOVEL COMPOSITIONS, METHODS AND POLYMERS PLEXTRONICS, INC. 2011-02-03 US disclosed
US-20110006287-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS NATIONAL SCIENCE FOUNDATION 2011-01-13 US disclosed
US-20110006287-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS NATIONAL SCIENCE FOUNDATION 2011-01-13 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 (2 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-20130092912-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS GJB2, PARG, PARN GPR35 3920/4885TYR 304/4885TP53 4652/4885
US-20110006287-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS GJB2, CYBA, MB GPR35 4164/4885TYR 320/4885TP53 4328/4885

“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.