SCHEMBL436555

SCHEMBL436555

CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@@H](OC(C)=O)CC1=O)[C@H](C)C[C@@H]2OC

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.88
ADORA3 P0DMS8 1/20 0.88
FKBP1A P62942 18/20 0.79
MEN1 O00255 1/20 0.79
LMNA P02545 1/20 0.79
MAPT P10636 1/20 0.79
KMT2A Q03164 1/20 0.79
THRB P10828 1/20 0.79
FKBP4 Q02790 1/20 0.79

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
SCHEMBL439484 1.00 ABCB11 (0.88) ABCB11ADORA3FKBP1AMEN1LMNA
SCHEMBL15872099 0.96 FKBP1A (0.84) ABCB11ADORA3FKBP1AMEN1LMNA
SCHEMBL437534 0.94 FKBP1A (0.81) ABCB11ADORA3FKBP1AMEN1LMNA
SCHEMBL10241635 0.94 ABCB11 (0.92) ABCB11ADORA3FKBP1AMEN1LMNA
SCHEMBL437462 0.94 FKBP1A (0.90) ABCB11ADORA3FKBP1AMEN1LMNA
Pimecrolimus SCHEMBL9947518 0.94 ABCB11 (1.00) ABCB11ADORA3FKBP1AMEN1LMNA
Pimecrolimus SCHEMBL4651515 0.94 ABCB11 (1.00) ABCB11ADORA3FKBP1AMEN1LMNA
Pimecrolimus SCHEMBL15277958 0.94 ABCB11 (1.00) ABCB11ADORA3FKBP1AMEN1LMNA
Pimecrolimus SCHEMBL436549 0.94 ABCB11 (1.00) ABCB11ADORA3FKBP1AMEN1LMNA
Pimecrolimus SCHEMBL117937 0.94 ABCB11 (1.00) ABCB11ADORA3FKBP1AMEN1LMNA

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-20120064575-A1 CHEMO-ENZYMATIC APPROACH TO THE SYNTHESIS OF PIMECROLIMUS AMRI ITALY S.R.L. (IT) 2012-03-15 US disclosed
US-20120064575-A1 CHEMO-ENZYMATIC APPROACH TO THE SYNTHESIS OF PIMECROLIMUS AMRI ITALY S.R.L. (IT) 2012-03-15 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-20120064575-A1 CHEMO-ENZYMATIC APPROACH TO THE SYNTHESIS OF PIMECROLIMUS CYP51A1, PIM1, COASY ABCB11 2816/4885ADORA3 4154/4885FKBP1A 1571/4885

“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.