SCHEMBL5951630

SCHEMBL5951630

CC(C)OB(OC(C)C)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 6/20 0.39
CYP2A6 P11509 3/20 0.39
NR2E1 Q9Y466 2/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 4/20 0.36
TSHR P16473 3/20 0.36
HTR1B P28222 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PGR P06401 1/20 0.35
GAA P10253 1/20 0.35
PTGS1 P23219 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
KEAP1 Q14145 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5952337 0.78 ALDH1A1 (0.43) KDM4EALDH1A1CYP2A6CYP1A2CYP2C19
SCHEMBL5951898 0.73 HPGD (0.40) KDM4EALDH1A1CYP2A6CYP1A2CYP2C19
SCHEMBL20312366 0.72 CYP3A4 (0.36) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL5952173 0.71 ALDH1A1 (0.40) KDM4EALDH1A1CYP2A6CYP1A2CYP2C9
SCHEMBL8624869 0.71 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL5952980 0.71 KCNA3 (0.41) KDM4EALDH1A1CYP2A6CYP1A2MAPT
SCHEMBL14983442 0.70 HTR1B (0.41) ALDH1A1CYP2A6HTR1B
SCHEMBL24012376 0.70 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2CYP2C9CYP2C19
SCHEMBL29555556 0.70 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2CYP2C9CYP2C19
SCHEMBL5601608 0.70 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2MAPTHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056822-B2 Method for producing polycyclic aromatic compound substituted by aryl group NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-06-16 US disclosed
US-20140206908-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-24 US disclosed
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 (3 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 KDM4E 2127/4885ALDH1A1 317/4885CYP2A6 64/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 KDM4E 2338/4885ALDH1A1 198/4885CYP2A6 78/4885
US-20140206908-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP PAH, DBH, AHR KDM4E 1907/4885ALDH1A1 2144/4885CYP2A6 99/4885

“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.