SCHEMBL5951706

SCHEMBL5951706

CC1Cc2c(OC(=O)OC(C)(C)C)cccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.60
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ELANE P08246 2/20 0.38
PIM1 P11309 1/20 0.35
CYP19A1 P11511 1/20 0.34
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL5952380 0.86 ACHE (0.68) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL5952755 0.82 ACHE (0.67) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL5951821 0.82 ACHE (0.58) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL5952549 0.81 ACHE (0.60) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL5952518 0.80 ABCB1 (0.46) ACHEELANEKDM1A
SCHEMBL5952866 0.78 ACHE (0.53) ACHEPOLBALDH1A1HSD17B10BRD4
SCHEMBL5951717 0.76 ACHE (0.57) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL15746282 0.76 ACHE (1.00) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL7387396 0.74 ACHE (0.63) ACHEKDM4ELMNAPOLBMAPT
SCHEMBL9573004 0.73 FABP3 (0.47) KDM4ELMNAMAPTELANEALDH1A1

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 839/4885KDM4E 2127/4885LMNA 1082/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885KDM4E 2338/4885LMNA 1251/4885

“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.