SCHEMBL5951167

SCHEMBL5951167

CC1Cc2c(cccc2-c2ccc(F)cc2F)C1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.55
GRM2 Q14416 7/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK14 Q16539 4/20 0.36
CTSD P07339 1/20 0.34

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
SCHEMBL5952600 0.80 ACHE (0.59) ACHEGRM2HTR1AHTR7
SCHEMBL5951713 0.80 ACHE (0.54) ACHEGRM2HTR1AHTR7HTR2A
SCHEMBL6472550 0.79 ACHE (0.66) ACHEHTR1AHTR7HTR2A
SCHEMBL5952536 0.76 ACHE (0.57) ACHE
SCHEMBL5952218 0.75 ACHE (0.64) ACHE
SCHEMBL5952009 0.73 ACHE (0.62) ACHE
SCHEMBL5952316 0.73 ACHE (0.77) ACHEHTR7HTR2A
SCHEMBL5952092 0.73 ACHE (0.82) ACHE
SCHEMBL6935632 0.73 ACHE (0.54) ACHE
SCHEMBL569403 0.73 ACHE (0.74) ACHEHTR1AHTR7HTR2A

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 ACHE 839/4885GRM2 3431/4885HTR1A 2570/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885GRM2 3240/4885HTR1A 2132/4885

“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.