SCHEMBL17709233

SCHEMBL17709233

O=C(O)OCC(=O)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 4/20 0.63
HPGD P15428 3/20 0.63
CYP1A2 P05177 3/20 0.63
GLA P06280 1/20 0.63
POLB P06746 1/20 0.63
CYP2D6 P10635 1/20 0.63
MEN1 O00255 3/20 0.44
NPC1 O15118 1/20 0.41
MAPT P10636 3/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PPARG P37231 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL16246608 0.89 ALDH1A1 (0.60) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL17709229 0.82 ALDH1A1 (0.54) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL17709257 0.78 ALDH1A1 (0.68) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL3297895 0.78 KMT2A (1.00) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL9359566 0.77 ALDH1A1 (0.66) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL28244208 0.77 ALDH1A1 (0.66) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL16581128 0.77 ALDH1A1 (0.66) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL28270088 0.77 ALDH1A1 (0.66) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL29677028 0.77 ALDH1A1 (0.66) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL8584989 0.77 ALDH1A1 (0.66) KDM4EKMT2AALDH1A1HSD17B10HPGD

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-10646416-B2 Microcapsules containing a gas-releasing photolabile compound and uses thereof FIRMENICH SA (CH) 2020-05-12 US disclosed
US-20160120773-A1 MICROCAPSULES CONTAINING A GAS-RELEASING PHOTOLABILE COMPOUND AND USES THEREOF FIRMENICH SA (CH) 2016-05-05 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-10646416-B2 Microcapsules containing a gas-releasing photolabile compound and uses thereof ALOX5, TRPA1, FASN KDM4E 4569/4885KMT2A 4780/4885ALDH1A1 4006/4885
US-20160120773-A1 MICROCAPSULES CONTAINING A GAS-RELEASING PHOTOLABILE COMPOUND AND USES THEREOF ALOX5, TRPA1, FASN KDM4E 4569/4885KMT2A 4780/4885ALDH1A1 4006/4885

“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.