SCHEMBL5952866

SCHEMBL5952866

CC1Cc2c(OC(=O)OCc3ccccc3)cccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.53
BRD4 O60885 3/20 0.41
CREBBP Q92793 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2C P28335 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
POLB P06746 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
SCHEMBL5951821 0.85 ACHE (0.58) ACHECA1CA2MEN1KMT2A
SCHEMBL5951967 0.82 ABCB1 (0.44) ACHEBRD4CREBBPCA1CA2
SCHEMBL5952380 0.80 ACHE (0.68) ACHEHSD17B10POLB
SCHEMBL8167082 0.78 ABCB1 (0.41) ACHEBRD4CREBBPCA1CA2
SCHEMBL5951706 0.78 ACHE (0.60) ACHEBRD4CREBBPALDH1A1HSD17B10
SCHEMBL5952755 0.77 ACHE (0.67) ACHEMEN1KMT2AALDH1A1HTT
SCHEMBL22882716 0.75 ALDH1A1 (0.57) BRD4CA1CA2MEN1KMT2A
SCHEMBL5952549 0.73 ACHE (0.60) ACHEPOLB
SCHEMBL1838503 0.71 ALDH1A1 (0.53) BRD4MEN1KMT2AALDH1A1HTT
SCHEMBL30416875 0.71 ALDH1A1 (0.53) ACHECA1CA2MEN1KMT2A

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 839/4885BRD4 3097/4885CREBBP 2331/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885BRD4 3045/4885CREBBP 2466/4885

“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.