SCHEMBL5951369

SCHEMBL5951369

CC(C)CCC(=O)c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPA1 O75762 1/20 0.44
F2R P25116 2/20 0.43
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
P2RX7 Q99572 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL15979732 0.82 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL30089542 0.82 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL5951330 0.81 F2R (0.52) ALDH1A1HPGDSMN1; SMN2HSD17B10F2R
SCHEMBL7544320 0.80 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2HSD17B10TRPA1
SCHEMBL15657218 0.80 CTNNB1 (0.53) ALDH1A1HPGDTRPA1F2RTSHR
SCHEMBL29573179 0.79 F2R (0.51) ALDH1A1HPGDSMN1; SMN2HSD17B10F2R
SCHEMBL2336667 0.79 F2R (0.51) ALDH1A1HPGDSMN1; SMN2HSD17B10F2R
SCHEMBL15656584 0.79 TRPA1 (0.44) ALDH1A1HSD17B10TRPA1F2RKDM4E
SCHEMBL8791621 0.78 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2HSD17B10F2R
SCHEMBL10062942 0.77 TRPA1 (0.42) ALDH1A1HPGDSMN1; SMN2HSD17B10TRPA1

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 ALDH1A1 317/4885HPGD 132/4885SMN1; SMN2 3518/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ALDH1A1 198/4885HPGD 159/4885SMN1; SMN2 3389/4885

“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.