SCHEMBL2155753

SCHEMBL2155753

O=C(O)c1cccc(C(F)(F)F)c1CC1(Cc2c(C(=O)O)cccc2C(F)(F)F)COc2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TAS2R14 Q9NYV8 2/20 0.38
FABP4 P15090 3/20 0.37
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RBP4 P02753 3/20 0.35
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
DHODH Q02127 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
PPARG P37231 1/20 0.34
HPGD P15428 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
SCHEMBL2156214 0.79 DGAT1 (0.40) MEN1KMT2ATAS2R14FABP4ALDH1A1
SCHEMBL2156506 0.79 FOLH1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL2155984 0.69 AKR1C3 (0.44) ALDH1A1LTB4RLTB4R2HPGD
SCHEMBL2156976 0.68 APEX1 (0.44) MEN1KMT2AALDH1A1HPGD
SCHEMBL8483795 0.67 TAS2R14 (0.48) MEN1KMT2ATAS2R14FABP4ALDH1A1
SCHEMBL8483791 0.67 TAS2R14 (0.48) MEN1KMT2ATAS2R14FABP4ALDH1A1
SCHEMBL4619070 0.67 LMNA (0.43) ALDH1A1CTNNB1WNT3AHPGD
SCHEMBL6326523 0.66 MEN1 (0.50) MEN1KMT2ATAS2R14FABP4ALDH1A1
SCHEMBL10397075 0.66 TAS2R14 (0.50) MEN1KMT2ATAS2R14FABP4ALDH1A1
SCHEMBL4619429 0.65 SMN1; SMN2 (0.41) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 US claimed
US-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US disclosed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 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-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production BCKDK, SYMPK, DHPS MEN1 2879/4885KMT2A 3098/4885TAS2R14 2696/4885

“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.