SCHEMBL24672584

SCHEMBL24672584

CCCCCNc1cc(C)cc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.58
DNM2 P50570 9/20 0.55
NOS3 P29474 1/20 0.50
NOS2 P35228 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PTGS2 P35354 1/20 0.39
SOAT1 P35610 2/20 0.39

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
SCHEMBL8543215 0.98 DNM2 (0.57) TLR8DNM2NOS3NOS2ALDH1A1
SCHEMBL9313985 0.95 TLR8 (0.65) TLR8DNM2NOS3NOS2ALDH1A1
SCHEMBL12963699 0.87 NOS3 (0.55) TLR8DNM2NOS3NOS2ALDH1A1
SCHEMBL13989410 0.85 TLR8 (0.61) TLR8DNM2ALDH1A1MAPK1TP53
SCHEMBL11454656 0.81 DNM2 (0.55) TLR8DNM2NOS3NOS2ALDH1A1
SCHEMBL13309799 0.81 TLR8 (0.61) TLR8DNM2ALDH1A1MAPK1TP53
SCHEMBL13309832 0.81 TLR8 (0.61) TLR8DNM2ALDH1A1MAPK1TP53
SCHEMBL13309816 0.81 TLR8 (0.61) TLR8DNM2ALDH1A1MAPK1TP53
SCHEMBL1194281 0.81 DNM2 (0.78) TLR8DNM2ALDH1A1MAPK1TP53
SCHEMBL13309860 0.81 TLR8 (0.61) TLR8DNM2ALDH1A1MAPK1TP53

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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 TLR8 2752/4885DNM2 1992/4885NOS3 3334/4885

“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.