SCHEMBL23713532

SCHEMBL23713532

C=COc1ccc2cc(-c3ccc(CCCCC)cc3CC)c(=O)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAOB P27338 4/20 0.39
GLA P06280 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
MAOA P21397 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 1/20 0.37

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 0.90 NPC1 (0.42) KDM4ENPC1RAB9AMAOBGLA
SCHEMBL18535678 0.88 NPC1 (0.51) KDM4ENPC1RAB9AMAOBGLA
SCHEMBL23713533 0.87 GLA (0.48) KDM4ENPC1RAB9AMAOBGLA
SCHEMBL23713548 0.87 NPC1 (0.50) KDM4ENPC1RAB9AMAOBGLA
SCHEMBL21524284 0.87 KDM4E (0.39) THRBKDM4ENPC1RAB9AMAOB
SCHEMBL23713496 0.85 STS (0.37) THRBKDM4ENPC1RAB9AMAOB
SCHEMBL24046295 0.85 NPC1 (0.39) KDM4ENPC1RAB9AMAOBGLA
SCHEMBL23316820 0.85 GLA (0.55) THRBKDM4ENPC1RAB9AMAOB
SCHEMBL18535451 0.84 THRB (0.47) THRBKDM4ENPC1RAB9AMAOB
SCHEMBL18535465 0.81 CYP19A1 (0.41) THRBKDM4EGLASMN1; SMN2ALDH1A1

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-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 US disclosed
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 (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-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, ALDH1A2, PDE6A THRB 4122/4885KDM4E 4039/4885NPC1 2482/4885
US-11078177-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A THRB 4122/4885KDM4E 4039/4885NPC1 2482/4885

“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.