SCHEMBL16798976

SCHEMBL16798976

CCOC(=O)C(C)NCc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 2/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
ALOX15 P16050 1/20 0.59
HPGD P15428 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 2/20 0.53
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL16798977 1.00 HSD17B10 (0.59) HSD17B10ALDH1A1MEN1KMT2AMAPT
SCHEMBL19326700 0.84 MEN1 (0.61) HSD17B10ALDH1A1MEN1KMT2ALMNA
SCHEMBL19326702 0.84 MEN1 (0.61) HSD17B10ALDH1A1MEN1KMT2ALMNA
SCHEMBL8804044 0.83 ALDH1A1 (0.59) HSD17B10ALDH1A1MEN1KMT2ALMNA
SCHEMBL5580133 0.82 HSD17B10 (0.54) HSD17B10ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8803794 0.82 MEN1 (0.59) HSD17B10ALDH1A1MEN1KMT2ALMNA
Propionic Acid SCHEMBL11143650 0.79 MEN1 (0.59) HSD17B10ALDH1A1MEN1KMT2AHPGD
SCHEMBL6157430 0.79 CYP3A4 (0.58) HSD17B10ALDH1A1MEN1KMT2AMAPT
SCHEMBL1099886 0.77 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4856839 0.77 ALDH1A1 (0.62) HSD17B10ALDH1A1MEN1KMT2AHPGD

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
CN-105792670-B Organic compounds 奇华顿股份有限公司 2021-02-05 CN disclosed
US-10226062-B2 Organic compounds GIVAUDAN SA (CH) 2019-03-12 US disclosed
EP-3086662-B1 ORGANIC COMPOUNDS HAVING TASTE MODIFYING PROPERTIES GIVAUDAN SA (CH) 2017-09-13 EP disclosed
EP-3086662-A1 ORGANIC COMPOUNDS Givaudan S.A. (CH) 2016-11-02 EP disclosed
US-20160295903-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-10-13 US disclosed
CN-105792670-A Organic compounds 奇华顿股份有限公司 2016-07-20 CN disclosed
WO-2015082645-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2015-06-11 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-20160295903-A1 ORGANIC COMPOUNDS TAS2R5, TAS2R3, TAS2R1 HSD17B10 795/4885ALDH1A1 322/4885MEN1 802/4885
US-10226062-B2 Organic compounds TAS2R5, TAS2R3, OR10J3 HSD17B10 718/4885ALDH1A1 291/4885MEN1 819/4885

“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.