SCHEMBL5952968

SCHEMBL5952968

Cc1ccc2c(c1Cl)C(=O)C(C)C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.49
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD3 P35462 1/20 0.34
ABCB1 P08183 1/20 0.32
BCL2A1 Q16548 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
SCHEMBL5951701 0.84 ACHE (0.50) ACHEHTR2AHTR2CHTR2BMAOA
SCHEMBL6056981 0.81 ACHE (0.51) ACHEHTR2AHTR2CHTR2BMAOA
SCHEMBL2484777 0.79 ACHE (0.49) ACHEMAOAMAOBDRD2DRD1
SCHEMBL10284389 0.79 ACHE (0.49) ACHEMAOAMAOBDRD2DRD1
SCHEMBL5952485 0.78 ACHE (0.69) ACHEHTR2AHTR2CHTR2B
SCHEMBL5951736 0.75 ACHE (0.46) ACHEMAOAMAOBABCB1
SCHEMBL7185650 0.74 ACHE (0.53) ACHEHTR2AHTR2CHTR2BMAOA
SCHEMBL5951341 0.73 ACHE (0.52) ACHEHTR2AHTR2CHTR2BMAOA
SCHEMBL5716785 0.71 ACHE (0.49) ACHE
SCHEMBL1023191 0.71 ACHE (0.50) ACHEHTR2AHTR2CHTR2BMAOA

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 839/4885HTR2A 2569/4885HTR2C 2534/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885HTR2A 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.