SCHEMBL5951407

SCHEMBL5951407

COc1cc(Cl)c2c(c1)CC(C)C2=O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.69
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLK Q9UBT6 1/20 0.36
IDO1 P14902 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
METAP1 P53582 1/20 0.35

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
SCHEMBL12059598 0.82 ACHE (1.00) ACHEKDM4E
SCHEMBL5951677 0.81 ACHE (0.47) ACHE
SCHEMBL5953396 0.81 ACHE (0.47) ACHE
SCHEMBL11602046 0.79 ACHE (0.45) ACHE
SCHEMBL5951943 0.78 ACHE (0.46) ACHEHTR2AHTR2CHTR2B
SCHEMBL5951317 0.74 ACHE (0.54) ACHEKDM4EPOLKIDO1
SCHEMBL11117983 0.74 ACHE (0.65) ACHEKDM4ESMN1; SMN2
SCHEMBL24755450 0.74 ACHE (0.39) ACHEHTR2AHTR2CHTR2B
SCHEMBL30050655 0.74 ACHE (0.39) ACHEHTR2AHTR2CHTR2B
SCHEMBL5953125 0.73 ACHE (0.41) ACHEKDM4ESMN1; SMN2

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.