SCHEMBL5951967

SCHEMBL5951967

CC1Cc2cccc(OC(=O)OCc3ccccc3)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ACHE P22303 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2C P28335 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PRKCA P17252 1/20 0.38

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
SCHEMBL8167082 0.96 ABCB1 (0.41) ABCB1ALDH1A1ACHECA1CA2
SCHEMBL5951844 0.85 ABCB1 (0.47) ABCB1ALDH1A1ACHEMEN1KMT2A
SCHEMBL5952866 0.82 ACHE (0.53) ALDH1A1ACHECA1CA2BRD4
SCHEMBL5953021 0.81 ABCB1 (0.50) ABCB1ACHEHSD17B10
SCHEMBL5952518 0.79 ABCB1 (0.46) ABCB1ACHE
SCHEMBL22882716 0.74 ALDH1A1 (0.57) ALDH1A1CA1CA2BRD4MEN1
SCHEMBL5951938 0.74 ABCB1 (0.46) ABCB1ACHE
SCHEMBL5952081 0.72 ABCB1 (0.44) ABCB1ACHEKMT2AHTR2C
SCHEMBL1838503 0.70 ALDH1A1 (0.53) ALDH1A1BRD4MEN1HTTGFER
SCHEMBL30416875 0.70 ALDH1A1 (0.53) ALDH1A1ACHECA1CA2MEN1

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 ABCB1 1146/4885ALDH1A1 317/4885ACHE 839/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ABCB1 1132/4885ALDH1A1 198/4885ACHE 820/4885

“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.