SCHEMBL2609352

SCHEMBL2609352

CSc1ccc(-c2cccc(C(C)C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.40
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 4/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
TGFBR1 P36897 2/20 0.36
APP P05067 3/20 0.35
IRAK4 Q9NWZ3 2/20 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
SCHEMBL2609343 0.80 ALDH1A1 (0.41) ALDH1A3ALDH1A1POLBMAPTHPGD
SCHEMBL2609332 0.80 KMT2A (0.60) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL29802385 0.79 ALDH1A3 (0.42) ALDH1A3ALDH1A1POLBMAPTHPGD
SCHEMBL2609327 0.79 SCN9A (0.48) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL2609330 0.79 HSD11B1 (0.40) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL23093241 0.79 ALDH1A3 (0.42) ALDH1A3ALDH1A1POLBMAPTHPGD
SCHEMBL2615817 0.78 CCR1 (0.58) ALDH1A3ALDH1A1POLBMAPTHPGD
SCHEMBL12922238 0.77 CCR1 (0.46) HPGDSLC6A2MEN1RAB9AKMT2A
SCHEMBL15980609 0.77 RAB9A (0.43) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL2609347 0.76 SCN9A (0.41) ALDH1A1POLBMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 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 (1 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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 ALDH1A3 598/4885ALDH1A1 840/4885POLB 2824/4885

“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.