SCHEMBL15944213

SCHEMBL15944213

CN[C@H]1C[C@@H](C)OC(O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@H](OC)[C@@H](OC(C)=O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@@H]2C)[C@@H]1OC(C)=O

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.80
USP2 O75604 2/20 0.80
ABCB1 P08183 1/20 0.80
LMNA P02545 1/20 0.60
KCNH2 Q12809 3/20 0.31
GNRHR P30968 1/20 0.31
PGR P06401 1/20 0.31
HTR1A P08908 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MLNR O43193 2/20 0.30

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
Troleandomycin SCHEMBL125070 0.89 CYP3A4 (1.00) CYP3A4USP2ABCB1LMNAKCNH2
Troleandomycin SCHEMBL125071 0.89 CYP3A4 (1.00) CYP3A4USP2ABCB1LMNAKCNH2
Troleandomycin SCHEMBL29470683 0.89 CYP3A4 (1.00) CYP3A4USP2ABCB1LMNAKCNH2
Troleandomycin SCHEMBL664623 0.89 CYP3A4 (1.00) CYP3A4USP2ABCB1LMNAKCNH2
Troleandomycin SCHEMBL28198745 0.87 CYP3A4 (0.94) CYP3A4USP2ABCB1LMNAKCNH2
Diproleandomycin SCHEMBL2109038 0.80 CYP3A4 (0.78) CYP3A4USP2ABCB1LMNAKCNH2
Troleandomycin SCHEMBL3065803 0.79 CYP3A4 (0.79) CYP3A4USP2ABCB1LMNAKCNH2
Oleandomycin SCHEMBL10028439 0.75 CYP3A4 (1.00) CYP3A4USP2ABCB1LMNAKCNH2
Oleandomycin SCHEMBL3717 0.75 CYP3A4 (1.00) CYP3A4USP2ABCB1LMNAKCNH2
Oleandomycin SCHEMBL3716 0.75 CYP3A4 (1.00) CYP3A4USP2ABCB1LMNAKCNH2

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-20140227208-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING MECHANICALLY-INDUCED SKIN INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 2014-08-14 US disclosed
US-20140227208-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING MECHANICALLY-INDUCED SKIN INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 2014-08-14 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-20140227208-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING MECHANICALLY-INDUCED SKIN INFLAMMATION CUTA, KRT18, IL33 CYP3A4 97/4885USP2 3147/4885ABCB1 1023/4885

“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.