SCHEMBL2155804

SCHEMBL2155804

O=C(O)c1ccccc1CC1(Cc2ccccc2C(=O)O)CCc2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 7/20 0.40
HTR2A P28223 6/20 0.40
HTR2C P28335 6/20 0.40
HTR2B P41595 6/20 0.40
DRD2 P14416 5/20 0.40
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
FOLH1 Q04609 2/20 0.39
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
DGAT1 O75907 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2157029 0.82 HTR2A (0.45) LMNAHTTNPSR1L3MBTL1SIGMAR1
SCHEMBL2156214 0.78 DGAT1 (0.40) LMNAHTTNPSR1L3MBTL1SIGMAR1
SCHEMBL2155728 0.78 LMNA (0.39) LMNAHTTNPSR1L3MBTL1SIGMAR1
SCHEMBL2155684 0.77 ACHE (0.40) LMNAHTTNPSR1L3MBTL1FOLH1
SCHEMBL2156506 0.75 FOLH1 (0.41) LMNAHTTNPSR1L3MBTL1FOLH1
SCHEMBL12395266 0.73 SMN1; SMN2 (0.42) LMNAHTTNPSR1L3MBTL1SIGMAR1
SCHEMBL2155776 0.69 LMNA (0.49) LMNAHTTNPSR1L3MBTL1SIGMAR1
SCHEMBL22692085 0.68 LMNA (0.45) LMNAHTTNPSR1L3MBTL1SIGMAR1
SCHEMBL22692083 0.68 LMNA (0.45) LMNAHTTNPSR1L3MBTL1SIGMAR1
SCHEMBL27599826 0.68 DGAT1 (0.46) LMNAHTTNPSR1L3MBTL1SIGMAR1

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 LMNA 3109/4885HTT 483/4885NPSR1 2327/4885

“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.