SCHEMBL5951595

SCHEMBL5951595

CC(C)C1Cc2cccc(I)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.39
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
GRM2 Q14416 2/20 0.34
ACHE P22303 1/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
ABCB1 P08183 1/20 0.31
DRD2 P14416 2/20 0.31

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
SCHEMBL12225987 0.81 HTR2A (0.43) PRNPPPARGNCOR2MAOAMAOB
SCHEMBL4480887 0.80 HTR2A (0.43) PRNPPPARGNCOR2MAOAMAOB
SCHEMBL5951568 0.80 PRNP (0.36) PRNPPPARGNCOR2MAOAMAOB
SCHEMBL5951770 0.77 ACHE (0.52) TDP2MAOAMAOBACHEABCB1
SCHEMBL5952596 0.76 HTR1A (0.46) PRNPPPARGNCOR2ACHEHTR2A
SCHEMBL5951268 0.73 ACHE (0.41) PRNPPPARGNCOR2ACHEHTR2A
SCHEMBL5952840 0.73 TDP2 (0.39) TDP2MAOAMAOBACHE
SCHEMBL5952199 0.73 HTR7 (0.41) PRNPPPARGNCOR2ACHE
SCHEMBL24440476 0.72 TDP2 (0.32) TDP2
SCHEMBL5951085 0.72 ALDH1A1 (0.41) PRNPPPARGNCOR2MAOAGRM2

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 TDP2 2954/4885PRNP 3267/4885PPARG 3654/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 TDP2 2981/4885PRNP 3542/4885PPARG 3862/4885

“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.