SCHEMBL17709229

SCHEMBL17709229

CCOC(=O)OCC(=O)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HPGD P15428 4/20 0.54
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 4/20 0.54
CYP1A2 P05177 3/20 0.54
HSD17B10 Q99714 2/20 0.54
GLA P06280 2/20 0.54
POLB P06746 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDC25B P30305 2/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
CYP1A1 P04798 1/20 0.36

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 0.93 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL17709233 0.82 KDM4E (0.63) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL4879006 0.81 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL8584989 0.79 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL29291611 0.78 KMT2A (0.50) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL2123580 0.77 HPGD (0.73) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL28989610 0.76 KMT2A (0.48) ALDH1A1HPGDKDM4EKMT2ACYP1A2
Methylene Chloride SCHEMBL28345680 0.75 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL17709257 0.74 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL11597738 0.73 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EKMT2ACYP1A2

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 ALDH1A1 4006/4885HPGD 292/4885KDM4E 4569/4885
US-20160120773-A1 MICROCAPSULES CONTAINING A GAS-RELEASING PHOTOLABILE COMPOUND AND USES THEREOF ALOX5, TRPA1, FASN ALDH1A1 4006/4885HPGD 292/4885KDM4E 4569/4885

“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.