SCHEMBL21134060

SCHEMBL21134060

CCCCc1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(CCCC)cc(CCCC)c2O)c(O)c(CCCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RBP1 P09455 1/20 0.34
CNR2 P34972 2/20 0.34
OPRM1 P35372 1/20 0.34
PTGS2 P35354 3/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.32

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
SCHEMBL18871870 1.00 L3MBTL1 (0.40) L3MBTL1NPC1HPGDMAPK1RAB9A
SCHEMBL22763818 0.97 L3MBTL1 (0.38) L3MBTL1NPC1HPGDMAPK1RAB9A
SCHEMBL18435651 0.95 L3MBTL1 (0.37) L3MBTL1NPC1HPGDMAPK1RAB9A
SCHEMBL21925999 0.93 ALDH1A1 (0.36) L3MBTL1NPC1HPGDMAPK1RAB9A
Acetic Acid SCHEMBL1228704 0.92 GPR84 (0.36) L3MBTL1NPC1HPGDMAPK1RAB9A
Acetic Acid SCHEMBL1229754 0.90 GPR84 (0.36) L3MBTL1NPC1HPGDMAPK1RAB9A
SCHEMBL18946268 0.89 L3MBTL1 (0.32) L3MBTL1NPC1HPGDMAPK1RAB9A
Acetic Acid SCHEMBL1229607 0.87 GPR84 (0.36) L3MBTL1NPC1HPGDMAPK1RAB9A
SCHEMBL22763970 0.86 NPC1 (0.35) NPC1HPGDMAPK1RAB9AHTT
Acetic Acid SCHEMBL1229313 0.85 GPR84 (0.36) L3MBTL1NPC1HPGDMAPK1RAB9A

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-10343999-B2 Method for synthesizing enantiomerically pure N-(pyridin-4-yl)-2-hydroxy-alkylamide derivatives GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-07-09 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-10343999-B2 Method for synthesizing enantiomerically pure N-(pyridin-4-yl)-2-hydroxy-alkylamide derivatives HACL2, NAAA, CYP1A2 L3MBTL1 4831/4885NPC1 2041/4885HPGD 99/4885

“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.