SCHEMBL2535868

SCHEMBL2535868

CC(C(=O)OC1CCCCCCCCC1)(C1CCCCCCCCC1)C1CCCCCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
EPHX1 P07099 2/20 0.43
CHRM3 P20309 6/20 0.42
NAAA Q02083 2/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C19 P33261 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CHRM2 P08172 1/20 0.35

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
SCHEMBL27549715 1.00 CYP19A1 (0.49) CYP19A1EPHX1CHRM3NAAAHTT
SCHEMBL14422664 0.84 CYP19A1 (0.49) CYP19A1EPHX1CHRM3NAAAHTT
SCHEMBL28317353 0.81 CYP19A1 (0.53) CYP19A1EPHX1CHRM3NAAAHTT
SCHEMBL29122830 0.81 EPHX1 (0.41) EPHX1SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL2182130 0.81 CYP19A1 (0.53) CYP19A1EPHX1CHRM3NAAAHTT
SCHEMBL27581519 0.81 CYP19A1 (0.50) CYP19A1EPHX1CHRM3NAAAHTT
SCHEMBL4679066 0.79 CYP19A1 (0.51) CYP19A1EPHX1CHRM3NAAAHTT
Ammonia Solution, Strong SCHEMBL27920558 0.79 CYP19A1 (0.51) CYP19A1EPHX1CHRM3NAAAHTT
SCHEMBL3717139 0.79 CYP19A1 (0.51) CYP19A1EPHX1CHRM3NAAAHTT
SCHEMBL1682649 0.79 CYP19A1 (0.50) CYP19A1EPHX1CHRM3NAAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230414474-A1 PROCESS FOR MAKING A COMPOSITION COMPRISING ALKYL POLYGLYCOSIDE AND PERFUME THE PROCTER & GAMBLE COMPANY 2023-12-28 US disclosed
CN-114502705-A Detergent composition 联合利华知识产权控股有限公司 2022-05-13 CN disclosed
CN-114364776-A Detergent composition 联合利华知识产权控股有限公司 2022-04-15 CN disclosed
US-9554982-B2 Aerosol antiperspirant compositions, products and methods THE PROCTER & GAMBLE COMPANY (US) 2017-01-31 US disclosed
US-20140077003-A1 Aerosol Antiperspirant Compositions, Products and Methods THE PROCTER & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-8440265-B2 Water- and heat-resistant scratch-and-sniff coating APPLETON PAPERS INC. (US) 2013-05-14 US disclosed
US-20110253584-A1 WATER- AND HEAT-RESISTANT SCRATCH-AND-SNIFF COATING ENCAPSYS, LLC 2011-10-20 US disclosed
US-4440663-A Alkaline aqueous liquid detergent compositions containing normally unstable ester perfumes THE PROCTER & GAMBLE COMPANY (US) 1984-04-03 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 (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-20230414474-A1 PROCESS FOR MAKING A COMPOSITION COMPRISING ALKYL POLYGLYCOSIDE AND PERFUME FUT8, PLG, PIGS CYP19A1 3299/4885EPHX1 1640/4885CHRM3 2051/4885

“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.