SCHEMBL633475

SCHEMBL633475

CCCCCCCC(=O)c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
HSD17B3 P37058 6/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
EPHX1 P07099 3/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL634326 1.00 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B3MAPTMEN1
SCHEMBL634225 0.98 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B3MAPTMEN1
SCHEMBL633895 0.93 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B3MAPTHTT
SCHEMBL19757423 0.90 HSD17B3 (0.55) ALDH1A1HPGDHSD17B3MAPTMEN1
SCHEMBL13085731 0.88 HSD17B3 (0.62) ALDH1A1HSD17B3MAPTMEN1HTT
SCHEMBL634434 0.86 ERCC5 (0.57) ALDH1A1HPGDHSD17B3MAPTMEN1
SCHEMBL7388180 0.85 ERCC5 (0.53) ALDH1A1HPGDMAPTMEN1HTT
SCHEMBL7388254 0.85 ERCC5 (0.53) ALDH1A1HPGDMAPTMEN1HTT
SCHEMBL5546398 0.84 ERCC5 (0.51) ALDH1A1HPGDMAPTMEN1HTT
SCHEMBL28808767 0.83 EPHX2 (0.59) ALDH1A1HPGDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US disclosed
US-8816095-B2 Na channels, disease, and related assays and compositions GEORGETOWN UNIVERSITY (US) 2014-08-26 US disclosed
US-8816095-B2 Na channels, disease, and related assays and compositions GEORGETOWN UNIVERSITY (US) 2014-08-26 US disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 EP disclosed
US-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2011-09-22 US disclosed
US-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2011-09-22 US disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 WO disclosed
WO-2010027641-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-03-11 WO disclosed
WO-2010019963-A2 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2010-02-18 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 (4 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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 ALDH1A1 521/4885HPGD 2548/4885HSD17B3 211/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 ALDH1A1 521/4885HPGD 2548/4885HSD17B3 211/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 ALDH1A1 521/4885HPGD 2548/4885HSD17B3 211/4885
US-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS CACNA1C, CACNA1B, CACNA1A ALDH1A1 3821/4885HPGD 2866/4885HSD17B3 1542/4885

“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.