SCHEMBL7836935

SCHEMBL7836935

CC(=O)NCC1COCC1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 1/20 0.40
▸ MTNR1A P48039 10/20 0.38
▸ GLA P06280 1/20 0.34
▸ MTNR1B P49286 6/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31

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
SCHEMBL13854076 0.77 — —
SCHEMBL24133924 0.75 FUCA1 (0.38) FUCA1MTNR1AGLAMTNR1BNPSR1
SCHEMBL16316029 0.72 — —
SCHEMBL9058544 0.71 — —
SCHEMBL2863034 0.70 — —
SCHEMBL17249606 0.70 — —
SCHEMBL4663635 0.70 — —
SCHEMBL1866565 0.70 FUCA1 (0.40) FUCA1MTNR1AGLAMTNR1BNPSR1
SCHEMBL1865707 0.69 FUCA1 (0.41) FUCA1MTNR1AGLAMTNR1BNPSR1
SCHEMBL15461404 0.69 FUCA1 (0.41) FUCA1MTNR1AGLAMTNR1BNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785424-B2 ngCycloartanone derivatives with anticancer activity PIERRE FABRE MEDICAMENT (FR) 2014-07-22 — — US disclosed
US-8785424-B2 ngCycloartanone derivatives with anticancer activity PIERRE FABRE MEDICAMENT (FR) 2014-07-22 — — US disclosed
US-20120077777-A1 NGCYCLOARTANONE DERIVATIVES WITH ANTICANCER ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-03-29 — — US disclosed
US-20120077777-A1 NGCYCLOARTANONE DERIVATIVES WITH ANTICANCER ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-03-29 — — US disclosed
WO-2010133687-A1 CYCLOARTANONE DERIVATIVES WITH ANTICANCER ACTIVITY PIERRE FABRE MEDICAMENT (FR) 2010-11-25 — — WO 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-20120077777-A1 NGCYCLOARTANONE DERIVATIVES WITH ANTICANCER ACTIVITY PKD1, NME1, NGLY1 FUCA1 1286/4885MTNR1A 4036/4885GLA 497/4885

“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.

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