SCHEMBL4334540

SCHEMBL4334540

O=Cc1cccc(B2OCCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
UNG P13051 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
BRD4 O60885 1/20 0.36
PRKDC P78527 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP2A6 P11509 2/20 0.34
SRC P12931 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPY5R Q15761 1/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
FGFR1 P11362 1/20 0.32
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 1/20 0.31

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
SCHEMBL14983425 0.93 ALDH1A1 (0.47) ALDH1A1UNGTRIM24TRIM33BRD4
SCHEMBL13136869 0.81
SCHEMBL14983423 0.80 ALDH1A1 (0.52) ALDH1A1UNGTRIM24TRIM33BRD4
SCHEMBL14799998 0.78 TRIM24 (0.38) ALDH1A1TRIM24TRIM33CYP2A6HSD17B10
SCHEMBL14983384 0.75 MAOA (0.36) ALDH1A1SRCMAOAFGFR1
SCHEMBL6829118 0.73 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL6830992 0.73 SMN1; SMN2 (0.38) ALDH1A1MAOB
SCHEMBL7738382 0.73 CYP3A4 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL14983435 0.73 ACHE (0.41) ALDH1A1TDP1
SCHEMBL31390229 0.72 LIPG (0.48) ALDH1A1UNGTRIM24TRIM33BRD4

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-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 ALDH1A1 844/4885UNG 4821/4885TRIM24 1455/4885

“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.