SCHEMBL5953386

SCHEMBL5953386

COc1ccc(-c2cccc3c2CC(C)C3=O)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.68
PRMT1 Q99873 1/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
PABPC1 P11940 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
SMARCA2 P51531 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 4/20 0.42
USP2 O75604 1/20 0.42
S100A4 P26447 1/20 0.42
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL5952092 0.85 ACHE (0.82) ACHEMAPTKDM4EPOLBLMNA
SCHEMBL15746282 0.82 ACHE (1.00) ACHEKMT2AMAPTKDM4EPOLB
SCHEMBL5952137 0.81 ACHE (0.64) ACHEKMT2AMAPTKDM4EALDH1A1
SCHEMBL5953562 0.81 ACHE (0.55) ACHEPRMT1KMT2AMAPTKDM4E
SCHEMBL3150632 0.81 ACHE (0.58) ACHEKMT2AMAPTKDM4EALDH1A1
SCHEMBL5953320 0.80 ACHE (0.67) ACHEKDM4EALDH1A1HSD17B10CYP19A1
SCHEMBL6917132 0.77 ACHE (0.54) ACHEKMT2AMAPTKDM4EPOLB
SCHEMBL12019868 0.76 IDO1 (0.59) PRMT1KMT2AMAPTKDM4EPOLB
SCHEMBL12019937 0.76 IDO1 (0.59) PRMT1KMT2AMAPTKDM4EPOLB
SCHEMBL5951716 0.75 ACHE (0.68) ACHE

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 839/4885PRMT1 1189/4885KMT2A 3372/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885PRMT1 1018/4885KMT2A 3578/4885

“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.