SCHEMBL13834865

SCHEMBL13834865

CCCCCCCCCCCCc1c(Br)sc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.41
ALDH1A1 P00352 2/20 0.36
TYMP P19971 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
ALOX5 P09917 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
PTGS2 P35354 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SHBG P04278 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL1156732 1.00 GPR35 (0.41) GPR35ALDH1A1TYMPTSHRTHRB
SCHEMBL28354074 1.00 GPR35 (0.41) GPR35ALDH1A1TYMPTSHRTHRB
SCHEMBL23094090 0.91 NPC1 (0.33) GPR35ALDH1A1
SCHEMBL31017017 0.89 GPR35 (0.44) GPR35ALDH1A1TYMPTSHRTHRB
SCHEMBL2492202 0.89 GPR35 (0.44) GPR35ALDH1A1TYMPTSHRTHRB
SCHEMBL3559696 0.89 GPR35 (0.44) GPR35ALDH1A1TYMPTSHRTHRB
SCHEMBL1413157 0.89 GPR35 (0.44) GPR35ALDH1A1TYMPTSHRTHRB
SCHEMBL5715261 0.89 GPR35 (0.44) GPR35ALDH1A1TYMPTSHRTHRB
Bromide SCHEMBL6258898 0.87 GPR35 (0.42) GPR35ALDH1A1TYMPTSHRTHRB
SCHEMBL793166 0.86 GPR35 (0.40) GPR35ALDH1A1TYMPTSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120292577-A1 REGIOREGULAR POLYTHIOPHENE AND PROCESS FOR PRODUCTION THEREOF KURARAY CO., LTD. (JP) 2012-11-22 US disclosed
US-20120292577-A1 REGIOREGULAR POLYTHIOPHENE AND PROCESS FOR PRODUCTION THEREOF KURARAY CO., LTD. (JP) 2012-11-22 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 (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-20120292577-A1 REGIOREGULAR POLYTHIOPHENE AND PROCESS FOR PRODUCTION THEREOF NTRK1, ETV1, EPB41 GPR35 1543/4885ALDH1A1 756/4885TYMP 1628/4885

“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.