SCHEMBL21576151

SCHEMBL21576151

C[C@H]1Cc2ccccc2CO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
IDO1 P14902 1/20 0.37
ACHE P22303 1/20 0.36
PARP1 P09874 3/20 0.36

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
SCHEMBL17150851 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL19230495 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL20095194 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL10262979 0.75 ACHE (0.41) MEN1KMT2AACHE
SCHEMBL12433390 0.75 ACHE (0.41) ACHE
SCHEMBL19203254 0.74 PNMT (0.46)
SCHEMBL10262328 0.74 ACHE (0.40) MAOAMAOBACHE
SCHEMBL27919649 0.74 MAOA (0.30) MAOAMAOB
SCHEMBL15825529 0.74 PNMT (0.46)
SCHEMBL7255269 0.73 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 NPC1 963/4885RAB9A 3188/4885SMN1; SMN2 1771/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 NPC1 963/4885RAB9A 3188/4885SMN1; SMN2 1771/4885

“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.