SCHEMBL22428639

SCHEMBL22428639

CNC(=O)[C@@]12CCC3C(C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)C1CC(C)(C)CC2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 4/20 0.60
▸ NOS2 P35228 8/20 0.58
▸ KEAP1 Q14145 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ NFE2L2 Q16236 3/20 0.58
▸ USP7 Q93009 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ STAT3 P40763 1/20 0.58
▸ CCR6 P51684 1/20 0.51
▸ RORC P51449 1/20 0.49

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
SCHEMBL25703400 1.00 MBOAT4 (0.60) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL21022618 0.91 MBOAT4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL22428591 0.91 MBOAT4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL20750767 0.91 MBOAT4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL22293723 0.91 MBOAT4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL23544236 0.91 MBOAT4 (0.73) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL27367842 0.91 NOS2 (0.70) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL24917451 0.91 NOS2 (0.70) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL20257454 0.91 NOS2 (0.70) MBOAT4NOS2KEAP1CYP3A4CYP2C19
SCHEMBL20853384 0.90 MBOAT4 (0.71) MBOAT4NOS2KEAP1CYP3A4CYP2C19

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-20200289607-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CORNEAL ENDOTHELIUM DISORDERS THE SCHEPENS EYE RESEARCH INSTITUTE, INC. 2020-09-17 — — 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-20200289607-A1 COMPOSITIONS AND METHODS OF TREATMENT OF CORNEAL ENDOTHELIUM DISORDERS FECH, KEAP1, NFE2L2 MBOAT4 4178/4885NOS2 366/4885KEAP1 2/4885

“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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