SCHEMBL5951767

SCHEMBL5951767

CC1Cc2c(ccc(Cl)c2-c2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.47
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CTRC Q99895 2/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL5952480 0.86 ACHE (0.56) ACHEMAOAMAOBHTTLMNA
SCHEMBL5952162 0.83 ACHE (0.57) ACHEMAOAMAOBHTTLMNA
SCHEMBL5952934 0.77 ACHE (0.51) ACHE
SCHEMBL3066323 0.76 ACHE (0.64) ACHEBRD4CREBBP
SCHEMBL5953017 0.75 ACHE (0.50) ACHEMAOAMAOBBRD4CREBBP
SCHEMBL5952962 0.74 ACHE (0.49) ACHE
SCHEMBL5951073 0.74 ACHE (0.49) ACHEMAOAMAOBBRD4
SCHEMBL8160364 0.74 MAOA (0.43) ACHEMAOAMAOBMAPTBRD4
SCHEMBL1453411 0.74 ACHE (0.66) ACHELMNAMAPTBRD4CREBBP
SCHEMBL5953118 0.73 ACHE (0.49) ACHEHTTBRD4

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 839/4885MAOA 498/4885MAOB 334/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOA 564/4885MAOB 403/4885

“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.