SCHEMBL5951965

SCHEMBL5951965

CC1Cc2c(cccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.53
HTR1A P08908 2/20 0.51
HTR7 P34969 2/20 0.51
PARP1 P09874 2/20 0.40
METAP1 P53582 1/20 0.39
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ELANE P08246 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
SCHEMBL5952547 0.90 HTR1A (0.52) ACHEHTR1AHTR7PARP1MAOB
SCHEMBL5951885 0.87 ACHE (0.54) ACHEHTR1AHTR7PARP1METAP1
SCHEMBL5953179 0.87 ACHE (0.54) ACHEHTR1AHTR7
SCHEMBL5952069 0.83 HTR1A (0.48) ACHEHTR1AHTR7PARP1METAP1
SCHEMBL5951165 0.81 HTR1A (0.49) ACHEHTR1AHTR7PARP1MAOB
SCHEMBL5951501 0.80 ACHE (0.49) ACHEHTR1AHTR7METAP1MAOB
SCHEMBL5951456 0.79 ACHE (0.63) ACHEELANE
SCHEMBL5952357 0.78 ACHE (0.57) ACHEHTR1AHTR7
SCHEMBL5952898 0.78 ACHE (0.57) ACHEMAOBMAOA
SCHEMBL5951098 0.78 ACHE (0.57) ACHEHTR1AHTR7

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 839/4885HTR1A 2570/4885HTR7 1861/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885HTR1A 2132/4885HTR7 2049/4885

“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.