SCHEMBL19002382

SCHEMBL19002382

CCCC(C)(CC)C(=O)c1cc(CC(C)C)n[nH]1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.33
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18997400 0.82 HCAR3 (0.35) HCAR3NPC1TP53GAAMAPT
SCHEMBL19049344 0.74 HCAR3 (0.39) HCAR3NPC1TP53GAAMAPT
SCHEMBL19002378 0.74 HCAR3 (0.37) HCAR3NPC1TP53GAAMAPT
SCHEMBL20665563 0.74 HCAR3 (0.37) HCAR3NPC1TP53GAAMAPT
SCHEMBL2888926 0.74 HCAR3 (0.51) HCAR3TP53
SCHEMBL15651990 0.72 PLA2G10 (0.41) HCAR3NPC1TP53GAAMAPT
SCHEMBL21776407 0.69 HCAR3 (0.34) HCAR3NPC1TP53GAAMAPT
SCHEMBL1205806 0.64 ATM (0.34)
SCHEMBL12948133 0.63 GAA (0.41) GAASMN1; SMN2
SCHEMBL1205224 0.62 HCAR2 (0.46) HCAR3GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (2 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 HCAR3 1255/4885NPC1 2024/4885TP53 124/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 HCAR3 1255/4885NPC1 2024/4885TP53 124/4885

“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.