SCHEMBL23713467

SCHEMBL23713467

C=COc1ccc2cc(-c3ccc(CC)cc3CC)c(=S)oc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.35
CA9 Q16790 7/20 0.35
CA1 P00915 6/20 0.35
ACHE P22303 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
CA4 P22748 3/20 0.32
CA6 P23280 3/20 0.32
CA7 P43166 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA5B Q9Y2D0 2/20 0.32
CYP1A2 P05177 1/20 0.32
CA5A P35218 1/20 0.32
KDM4E B2RXH2 4/20 0.32
GLA P06280 4/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 3/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL23713526 0.88 NPC1 (0.42) CA12CA9ACHEGPR55CA4
SCHEMBL18535466 0.86 GPR55 (0.44) CA12CA9CA1ACHEGPR55
SCHEMBL23713466 0.85 CA12 (0.48) CA12CA9CA1CA4CA6
SCHEMBL18535593 0.79 MEN1 (0.47) CA12CA9CA1KDM4EGLA
SCHEMBL18535441 0.78 MAOB (0.34) CA12CA9CA4CA6CA7
SCHEMBL23713532 0.78 THRB (0.40) CA12CA9CA1ACHEGPR55
SCHEMBL24046146 0.74 MAPT (0.31) CYP1A2NPC1RAB9AALDH1A1MAPT
SCHEMBL23713550 0.73 MAOB (0.45) KDM4EGLANPC1RAB9AALDH1A1
SCHEMBL18535477 0.73 NPC1 (0.57) CA12CA9ACHEGPR55CA4
SCHEMBL23713525 0.72 GLA (0.54) CA12CA9CA1CA4CA6

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-11078177-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2021-08-03 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-11078177-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A CA12 3914/4885CA9 1402/4885CA1 4564/4885

“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.