SCHEMBL5951330

SCHEMBL5951330

CC(C)CC(=O)c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.52
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRM2 Q14416 1/20 0.45
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5951369 0.81 ALDH1A1 (0.44) F2RALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL28037656 0.79 HPGD (0.43) F2RALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8635130 0.78 ALDH1A1 (0.44) F2RALDH1A1HPGDSMN1; SMN2GRM2
SCHEMBL27925176 0.78 FFAR1 (0.48) ALDH1A1HPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL13257558 0.78 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL13647199 0.78 ERCC5 (0.55) F2RALDH1A1HPGDGRM2TSHR
SCHEMBL9432640 0.78 L3MBTL1 (0.48) F2RHPGDSMN1; SMN2GRM2L3MBTL1
SCHEMBL634331 0.78 KMT2A (0.53) F2RALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL29573770 0.78 KMT2A (0.53) F2RALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30089542 0.77 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10MAPT

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 8 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
US-4587201-A Photo-curable urethane-acrylate resin composition for permanent resist NIPPON SODA CO. LTD. (JP) 1986-05-06 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 F2R 2373/4885ALDH1A1 317/4885HPGD 132/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 F2R 2214/4885ALDH1A1 198/4885HPGD 159/4885

“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.