SCHEMBL19342490

SCHEMBL19342490

CCCC/C=C\CCCCCCCC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH2 Q9NR71 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ MARS2 Q96GW9 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ DEGS1 O15121 1/20 0.54
▸ MAPT P10636 1/20 0.53
▸ CETP P11597 4/20 0.53
▸ THRB P10828 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RPLP1 P05386 1/20 0.51
▸ RPLP0 P05388 1/20 0.51
▸ RPS17 P08708 1/20 0.51
▸ RPSA P08865 1/20 0.51
▸ RPS2 P15880 1/20 0.51
▸ RPL35A P18077 1/20 0.51

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
SCHEMBL19352898 1.00 ASAH2 (0.55) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL19328599 0.98 ASAH2 (0.58) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL19342491 0.98 ASAH2 (0.58) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL19342489 0.98 ASAH2 (0.58) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL19352897 0.98 ASAH2 (0.58) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL19342488 0.97 ASAH2 (0.57) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL19352747 0.97 ASAH2 (0.57) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL13930323 0.92 ASAH2 (0.64) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL4240806 0.92 ASAH2 (0.64) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL360962 0.92 ASAH2 (0.64) ASAH2ALDH1A1LMNASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260134-A1 Ceramide Analogs DEPARTMENT OF VETERAN AFFAIRS 2017-09-14 — — 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-20170260134-A1 Ceramide Analogs SGMS1, CERT1, SGMS2 ASAH2 9/4885ALDH1A1 4132/4885LMNA 531/4885

“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.

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