SCHEMBL15908336

SCHEMBL15908336

OC1CCC2(OC1)c1ccccc1CCc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR2 Q8TDS4 1/20 0.38
KDM1A O60341 5/20 0.37
SLC18A3 Q16572 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAOB P27338 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 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
SCHEMBL14706993 0.75 MAPK1 (0.40) MAPK1SMN1; SMN2HCAR2KDM1ASLC18A3
SCHEMBL14707058 0.74 HTR2A (0.49) MAPK1SMN1; SMN2KDM1ASLC18A3SIGMAR1
SCHEMBL11772061 0.70 HTR2A (0.42) MAPK1SMN1; SMN2HCAR2KDM1ASIGMAR1
SCHEMBL15908331 0.70 KDM1A (0.42) HCAR2KDM1ASIGMAR1MAOBHTR2A
SCHEMBL15908327 0.69 KDM1A (0.45) HCAR2KDM1ASIGMAR1HTR2A
SCHEMBL31683810 0.68 AVPR1A (0.49) HCAR2KDM1AMAOBHTR2A
SCHEMBL11701139 0.68 SIGMAR1 (0.57) MAPK1SLC18A3SIGMAR1HTR2A
SCHEMBL3400210 0.67 SIGMAR1 (0.46) SIGMAR1
Methane SCHEMBL11703509 0.67 SIGMAR1 (0.56) MAPK1SLC18A3SIGMAR1HTR2A
SCHEMBL3400212 0.67 SIGMAR1 (0.46) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 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-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 MAPK1 1375/4885SMN1; SMN2 4863/4885HCAR2 2344/4885

“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.