SCHEMBL1552744

SCHEMBL1552744

O=C1c2ccccc2SCCC1(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
S100A4 P26447 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CA1 P00915 1/20 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
SCHEMBL2155997 0.83 MAPT (0.44) HPGDALDH1A1LMNAGAAHSD17B10
SCHEMBL3774175 0.79 HPGD (0.37) HPGDALDH1A1LMNAGAAHSD17B10
SCHEMBL1552499 0.77 EPHX1 (0.42) NPSR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3786257 0.76 ACHE (0.36) HPGDALDH1A1LMNAGAAHSD17B10
SCHEMBL1552500 0.75 ASAH1 (0.38)
SCHEMBL2157042 0.75 LMNA (0.43) HPGDALDH1A1LMNAGAAHSD17B10
SCHEMBL1552563 0.74 ALDH1A1 (0.36) HPGDALDH1A1LMNAGAAKDM4E
SCHEMBL1552074 0.74 SMN1; SMN2 (0.39) HPGDNPSR1ALDH1A1LMNAHTT
SCHEMBL3770444 0.73 CHRM3 (0.40) ALDH1A1HSD17B10MAPTSMN1; SMN2RAB9A
SCHEMBL1551484 0.73 CHRM3 (0.40) HPGDGAAHSD17B10HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891035-B1 SUBSTITUTED BENZO-CONDENSED CYCLOHEPTANONE DERIVATIVES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2011-04-27 EP disclosed
US-7858613-B2 Substituted benzo-condensed cycloheptanone derivatives and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-12-28 US disclosed
US-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US disclosed
EP-1891035-A1 SUBSTITUTED BENZO-CONDENSED CYCLOHEPTANONE DERIVATIVES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-02-27 EP disclosed
WO-2006122776-A1 SUBSTITUTED BENZO-CONDENSED CYCLOHEPTANONE DERIVATIVES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2006-11-23 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-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs ABCB1, DHFR, DHPS HPGD 59/4885NPSR1 1321/4885ALDH1A1 613/4885

“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.