SCHEMBL5952044

SCHEMBL5952044

CC1C(B(C2=CC3CC(C2C)C3(C)C)c2cccc3ccccc23)=CC2CC1C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL1265002 0.65 ALDH1A1 (0.50) ALDH1A1CYP2A6MAPTCYP2D6
SCHEMBL30155141 0.65 ALDH1A1 (0.50) ALDH1A1CYP2A6MAPTCYP2D6
SCHEMBL21517106 0.59 CYP1A2 (0.48) ACHEALDH1A1CYP2A6MEN1KMT2A
SCHEMBL1477784 0.59 ALDH1A1 (0.42) ALDH1A1CYP2A6
SCHEMBL7914780 0.58 CYP2A6 (0.50) ALDH1A1CYP2A6MAPTCYP2D6
SCHEMBL24012376 0.58 ALDH1A1 (0.48) ALDH1A1CYP2A6MAPK1CYP2D6
SCHEMBL5601608 0.58 ALDH1A1 (0.48) ALDH1A1CYP2A6MAPTMAPK1
SCHEMBL29555556 0.58 ALDH1A1 (0.48) ALDH1A1CYP2A6MAPK1CYP2D6
SCHEMBL29391558 0.58 ALDH1A1 (0.48) ALDH1A1CYP2A6MAPTMAPK1
SCHEMBL24488 0.58 ALDH1A1 (0.48) ALDH1A1CYP2A6MAPTMAPK1

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 7 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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO 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 839/4885POLB 1845/4885ALDH1A1 317/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885POLB 1979/4885ALDH1A1 198/4885

“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.