SCHEMBL1551480

SCHEMBL1551480

O=C1c2ccccc2CCCC1(CO)COC(=S)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.43
DGAT1 O75907 6/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.40
MAPK14 Q16539 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL1551492 0.84 L3MBTL1 (0.43) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL1551469 0.84 L3MBTL1 (0.43) L3MBTL1TP53DGAT1MAPTMEN1
SCHEMBL12395265 0.72 LMNA (0.43) TP53DGAT1LMNAMAPK14GAA
SCHEMBL1552054 0.71 CYP2A6 (0.46) L3MBTL1MAPTLMNAGAANPSR1
SCHEMBL1552794 0.69 HPGD (0.37) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL3774175 0.69 HPGD (0.37) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL1552206 0.69 MAPT (0.48) L3MBTL1TP53DGAT1MAPTMEN1
SCHEMBL2157006 0.68 LMNA (0.45) L3MBTL1TP53DGAT1MAPTMEN1
SCHEMBL14137328 0.66 DGAT1 (0.86) DGAT1
SCHEMBL3770467 0.63 EPHX1 (0.46) MAPTKMT2ALMNAGAAALDH1A1

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 claimed
US-7858613-B2 Substituted benzo-condensed cycloheptanone derivatives and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-12-28 US claimed
US-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US claimed
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

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 L3MBTL1 4718/4885TP53 4130/4885DGAT1 3639/4885

“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.