SCHEMBL1780394

SCHEMBL1780394

Brc1ccc(-c2sccc2-c2cccs2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
LTA4H P09960 2/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
DPP4 P27487 3/20 0.34
GAA P10253 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
TDO2 P48775 1/20 0.33
TP53 P04637 2/20 0.33

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
SCHEMBL8508789 0.87 CES1 (0.37) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL147273 0.81 KDM4E (0.42) LTA4HALDH1A1KDM4EMAPTHPGD
SCHEMBL365802 0.81 KDM4E (0.42) LTA4HALDH1A1KDM4EMAPTHPGD
SCHEMBL196515 0.79 LTA4H (0.52) HDAC1LTA4HALDH1A1KDM4EMAPT
SCHEMBL4670715 0.78 DPP4 (0.36) LTA4HALDH1A1KDM4EHSD17B10DPP4
SCHEMBL22734807 0.77 PTPRC (0.41) LTA4HALDH1A1KDM4EMAPTHPGD
SCHEMBL22734772 0.77 PTPRC (0.41) LTA4HALDH1A1KDM4EMAPTHPGD
SCHEMBL498603 0.77 DPP4 (0.53) HDAC1LTA4HALDH1A1KDM4EMAPT
SCHEMBL22734786 0.77 PTPRC (0.41) LTA4HALDH1A1KDM4EMAPTHPGD
SCHEMBL22763791 0.77 PTPRC (0.41) LTA4HALDH1A1KDM4EMAPTHPGD

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
US-20110118483-A1 n-Type thiophene semiconductors POLYERA CORPORATION 2011-05-19 US disclosed
US-7842198-B2 n-Type thiophene semiconductors NORTHWESTERN UNIVERSITY (US) 2010-11-30 US disclosed
US-20080293937-A1 n-Type Thiophene Semiconductors POLYERA CORPORATION 2008-11-27 US disclosed
US-7374702-B2 n-Type thiophene semiconductors NORTHWESTERN UNIVERSITY (US) 2008-05-20 US disclosed
US-20060124909-A1 n-Type thiophene semiconductors POLYERA CORPORATION 2006-06-15 US disclosed
US-6991749-B2 n-Type thiophene semiconductors NORTHWESTERN UNIVERSITY (US) 2006-01-31 US disclosed
US-20050119440-A1 n-Type thiophene semiconductors NATIONAL SCIENCE FOUNDATION 2005-06-02 US disclosed
US-6585914-B2 N-type thiophene semiconductors NORTHWESTERN UNIVERSITY 2003-07-01 US disclosed
US-20030080324-A1 n-type thiophene semiconductors NORTHWESTERN UNIVERSITY 2003-05-01 US disclosed
WO-2003010778-A1 n-TYPE THIOPHENE SEMICONDUCTORS NORTHWESTERN UNIVERSITY (US) 2003-02-06 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 (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-20080293937-A1 n-Type Thiophene Semiconductors FTH1, FECH, CD2 HDAC1 3027/4885LTA4H 488/4885ALDH1A1 2700/4885
US-20110118483-A1 n-Type thiophene semiconductors FTH1, FECH, CD2 HDAC1 3027/4885LTA4H 488/4885ALDH1A1 2700/4885

“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.