SCHEMBL17865277

SCHEMBL17865277

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.52
EPHX2 P34913 1/20 0.47
HPGD P15428 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CASP2 P42575 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL6762129 0.82 DNM1 (0.57)
SCHEMBL8083797 0.82 DNM1 (0.57)
Miramistin Ion SCHEMBL2238282 0.81 DNM1 (0.62) EPHX2HPGD
SCHEMBL11305761 0.81 DNM1 (0.62) EPHX2HPGD
SCHEMBL10034064 0.81 DNM1 (0.62) EPHX2HPGD
Hydrochloric Acid SCHEMBL29729671 0.80 MEN1 (0.58) HDAC1HDAC8
Hydrochloric Acid SCHEMBL30869258 0.80 MEN1 (0.58) HDAC1HDAC8
Water SCHEMBL11790520 0.80 DNM1 (0.55) HDAC1HDAC8
Hydrochloric Acid SCHEMBL1123490 0.80 MEN1 (0.58) HDAC1HDAC8
Miramistin Ion SCHEMBL23922700 0.80 MEN1 (0.62) EPHX2HPGD

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-9802908-B2 Ethyl benzyl quaternary amines of amido amines for improved antifungal properties TPAT IP LLC 2017-10-31 US disclosed
US-20160176802-A1 Ethyl Benzyl Quaternary Amines of Amido Amines for Improved Antifungal properties TPAT IP LLC 2016-06-23 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-20160176802-A1 Ethyl Benzyl Quaternary Amines of Amido Amines for Improved Antifungal properties BET1, ASNS, NAAA MTNR1A 4115/4885EPHX2 3435/4885HPGD 4132/4885

“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.