SCHEMBL726779

SCHEMBL726779

Cc1cc2c(cc1C)c1ccsc1c1sccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
CYP2A6 P11509 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
DYRK1A Q13627 1/20 0.31

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
SCHEMBL13815234 0.91 MAPT (0.33) MAPTTSHRCYP2A6KDM4ENPC1
SCHEMBL25831616 0.90 MAPT (0.35) MAPTTSHRCYP2A6KDM4ENPC1
SCHEMBL18133632 0.86 CSNK2A1 (0.33) MAPTTSHRCYP2A6KDM4ENPC1
SCHEMBL12275227 0.79 DYRK1A (0.33) MAPTTSHRCYP2A6DYRK1A
SCHEMBL2742950 0.75 DYRK1A (0.37) CYP2A6KDM4EDYRK1A
SCHEMBL22504301 0.75 MAPT (0.36) MAPTTSHRCYP2A6KDM4ECYP1A2
SCHEMBL26080844 0.75 KDM4E (0.42) MAPTTSHRCYP2A6KDM4EALDH1A1
SCHEMBL13280423 0.74 PARP1 (0.33) MAPTTSHRDYRK1A
SCHEMBL21414006 0.73 MAPT (0.35) MAPTTSHRKDM4EALDH1A1GAA
SCHEMBL6127813 0.72 CYP1A2 (0.39) MAPTTSHRCYP2A6KDM4ECYP1A2

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 3 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-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
WO-2011156478-A2 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-12-15 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-20130092912-A1 POLYMERS WITH TUNABLE BAND GAPS FOR PHOTONIC AND ELECTRONIC APPLICATIONS GJB2, PARG, PARN MAPT 2075/4885TSHR 4836/4885CYP2A6 2410/4885

“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.