SCHEMBL5951701

SCHEMBL5951701

CC1Cc2ccc(Cl)c(Cl)c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.50
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
HTR2B P41595 4/20 0.39
CES1 P23141 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ABCB1 P08183 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
SCHEMBL5952968 0.84 ACHE (0.49) ACHEHTR2AHTR2CHTR2BMAOA
SCHEMBL5952485 0.80 ACHE (0.69) ACHEHTR2AHTR2CHTR2B
SCHEMBL8552212 0.78 CES1 (0.34) HTR2AHTR2CHTR2BCES1
SCHEMBL5951341 0.78 ACHE (0.52) ACHEHTR2AHTR2CHTR2BMAOA
SCHEMBL30666639 0.78 CES1 (0.34) HTR2AHTR2CHTR2BCES1
SCHEMBL5952089 0.73 ACHE (0.49) ACHEHTR2CCES1MAOA
SCHEMBL11460630 0.73 ACHE (0.45) ACHEMAOAMAOB
SCHEMBL6056981 0.72 ACHE (0.51) ACHEHTR2AHTR2CHTR2BMAOA
SCHEMBL5951677 0.72 ACHE (0.47) ACHE
SCHEMBL5952934 0.70 ACHE (0.51) ACHEHTR2AHTR2CHTR2BCES1

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 7 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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO 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.