SCHEMBL16210684

SCHEMBL16210684

CC(C)C(=O)Oc1cc(OC(=O)C(C)C)c2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDC25B P30305 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
NCEH1 Q6PIU2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL6693971 0.82 HTT (0.53) ELANEALDH1A1HSD17B10PGRGAA
SCHEMBL30259743 0.81 ELANE (0.50) ELANEALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10714230 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL28376666 0.79 ALDH1A1 (0.44) ELANEALOX15ALDH1A1HSD17B10PGR
Hydrochloric Acid SCHEMBL27504502 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL11996303 0.78 ELANE (0.57) ELANEALDH1A1HSD17B10MEN1KMT2A
SCHEMBL31322986 0.78 ELANE (0.57) ELANEALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28376282 0.78 ALDH1A1 (0.43) ELANEALOX15ALDH1A1HSD17B10PGR
SCHEMBL17138129 0.77 L3MBTL1 (0.51) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL15103581 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10PGRGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 US disclosed
US-20160251312-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-09-01 US disclosed
US-9357781-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-06-07 US disclosed
US-20140329674-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-11-06 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-20160251312-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 ELANE 275/4885ALOX15 3812/4885ALDH1A1 2033/4885
US-20140329674-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 ELANE 275/4885ALOX15 3812/4885ALDH1A1 2033/4885

“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.