SCHEMBL27199710

SCHEMBL27199710

CCCn1ncc2ccc(NC(=O)O)c(OC)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.41
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMO O15229 1/20 0.36
THRB P10828 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
APOBEC3A P31941 1/20 0.34

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
SCHEMBL27199446 0.90 MAPK1 (0.43) MAPK1ALDH1A1HSD17B10HTTNPC1
SCHEMBL27199684 0.89 MAPK1 (0.43) MAPK1ALDH1A1HSD17B10HTTNPC1
SCHEMBL25750456 0.85 GSK3B (0.37) MAPK1ALDH1A1HSD17B10HTTNPC1
SCHEMBL31017361 0.85 GSK3B (0.37) MAPK1ALDH1A1HSD17B10HTTNPC1
SCHEMBL27199418 0.84 MAPK1 (0.42) MAPK1ALDH1A1HSD17B10HTTNPC1
SCHEMBL27199360 0.83 HTR2A (0.39) MAPK1ALDH1A1HSD17B10HTTNPC1
SCHEMBL27199328 0.83 ROS1 (0.35) MAPK1ALDH1A1HSD17B10HTTNPC1
SCHEMBL27199438 0.83 MEN1 (0.40) MAPK1ALDH1A1HSD17B10HTTNPC1
SCHEMBL27199549 0.78 MAPK1 (0.40) MAPK1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL27199485 0.77 BRD4 (0.38) MAPK1ALDH1A1HSD17B10NPC1RAB9A

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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 MAPK1 372/4885ALDH1A1 4805/4885HSD17B10 3503/4885

“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.