SCHEMBL18857096

SCHEMBL18857096

COc1ccc(CCC2CCC(NC(=O)C3C(C(=O)O)[C@H]4CC[C@@H]3O4)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 3/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TFPI2 P48307 3/20 0.49
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL18853812 0.88 MEN1 (0.56) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14135618 0.84 PPP1CA (0.49) PPP1CALMNAKDM4ETFPI2GAA
SCHEMBL9880156 0.84 PPP1CA (0.49) PPP1CALMNAKDM4ETFPI2GAA
SCHEMBL2333833 0.84 PPP1CA (0.49) PPP1CALMNAKDM4ETFPI2GAA
SCHEMBL3496527 0.78 L3MBTL1 (0.67) PPP1CALMNAKDM4EGAACYP1A2
SCHEMBL3496110 0.74 GAA (0.71) PPP1CALMNAKDM4EGAAHPGD
SCHEMBL16838790 0.72 MAOB (0.63)
SCHEMBL13002108 0.72 SIGMAR1 (0.45) GAA
SCHEMBL9880155 0.71 MEN1 (0.54) GAA
SCHEMBL9291906 0.69 MAOB (0.56)

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-20170136008-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF OVARIAN CANCER LIXTE BIOTECHNOLOGY, INC. (US) 2017-05-18 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-20170136008-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF OVARIAN CANCER OAT, OGG1, OTC PPP1CA 2763/4885LMNA 3922/4885KDM4E 1526/4885

“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.