SCHEMBL5951641

SCHEMBL5951641

CC(C)(C)C(=O)c1ccccc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ELANE P08246 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ENPP2 Q13822 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HBB P68871 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ADORA2A P29274 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL6375203 0.93 PDK2 (0.40) CYP2C19HIF1AELANEALDH1A1KDM4E
SCHEMBL1275130 0.83 CES1 (0.48) KDM4EENPP2MAPK1CES1
SCHEMBL16722809 0.82 ALDH1A1 (0.47) CYP2C19HIF1AELANEALDH1A1KDM4E
SCHEMBL15445468 0.82 ELANE (0.47) CYP2C19HIF1AELANEALDH1A1KDM4E
SCHEMBL28063627 0.78 ENPP2 (0.40) ALDH1A1ENPP2MAPTKMT2AALOX15
SCHEMBL855691 0.77 CES2 (0.58) ALDH1A1MAPTKMT2AALOX15CES2
SCHEMBL28284793 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1HSD17B10MAPT
SCHEMBL5058742 0.76 ALDH1A1 (0.45) CYP2C19HIF1AELANEALDH1A1KDM4E
SCHEMBL29469063 0.76 ENPP2 (0.41) ALDH1A1KDM4EENPP2L3MBTL1MAPT
SCHEMBL519802 0.76 ENPP2 (0.41) ALDH1A1KDM4EENPP2L3MBTL1MAPT

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 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
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 (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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 CYP2C19 4436/4885HIF1A 1721/4885ELANE 2834/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A CYP2C19 60/4885HIF1A 729/4885ELANE 3425/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CYP2C19 75/4885HIF1A 593/4885ELANE 3444/4885

“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.