SCHEMBL5951603

SCHEMBL5951603

CC(C)C1Cc2c(ccc(C(F)(F)F)c2-c2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.36
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
FABP4 P15090 1/20 0.32
AKR1C3 P42330 5/20 0.32
AKR1C2 P52895 5/20 0.32
CYP27A1 Q02318 1/20 0.31
CYP24A1 Q07973 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL5952371 0.75 PARP10 (0.41)
SCHEMBL5952576 0.71 MET (0.39)
SCHEMBL34420064 0.66 ACHE (0.43) FABP4LMNA
SCHEMBL29237804 0.65 FABP4 (0.41) FABP4
SCHEMBL2486074 0.64 PIM1 (0.41) METAP1
SCHEMBL5952480 0.64 ACHE (0.56) LMNA
SCHEMBL5952742 0.64 ACHE (0.40)
SCHEMBL5951268 0.64 ACHE (0.41) METAP1HTR2AHTR2CHTR2BLMNA
SCHEMBL5952596 0.64 HTR1A (0.46) HTR2AHTR2CHTR2BLMNAMAPK1
SCHEMBL20207026 0.63 S100A4 (0.53) HTR2BLMNAMAPK1

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
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (2 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A METAP1 4201/4885HTR2A 2569/4885HTR2C 2534/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 METAP1 4035/4885HTR2A 2727/4885HTR2C 2626/4885

“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.