SCHEMBL19429950

SCHEMBL19429950

CC[C@H]1Nc2ccc(CCC(=O)NCC(=O)N3CCCC3)cc2OC[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 3/20 0.43
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.38
▸ RIPK1 Q13546 7/20 0.37
▸ POLB P06746 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AIMP2 Q13155 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SLC5A1 P13866 1/20 0.34
▸ SLC5A2 P31639 1/20 0.34

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
SCHEMBL19423585 0.87 CYP4F2 (0.43) PPIDCYP4F2CYP4A11TRPV1RIPK1
SCHEMBL19429945 0.86 PPID (0.47) PPIDPOLBLTA4HHPGD
SCHEMBL19423571 0.82 PPID (0.68) PPID
SCHEMBL19423587 0.77 PPID (0.48) PPIDCYP4F2CYP4A11POLBL3MBTL1
SCHEMBL19421503 0.74 PPID (0.68) PPIDCYP4F2CYP4A11POLBL3MBTL1
SCHEMBL19429951 0.74 PPID (0.68) PPIDCYP4F2CYP4A11POLBL3MBTL1
SCHEMBL19410030 0.74 PPID (0.68) PPIDCYP4F2CYP4A11POLBL3MBTL1
SCHEMBL19423718 0.73 PPID (0.45) PPIDPOLB
SCHEMBL19423582 0.72 PPID (0.53) PPIDPOLBLTA4HHPGD
SCHEMBL19430092 0.72 PPID (0.43) PPIDTRPV1POLBLTA4HHPGD

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-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — 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-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 PPID 17/4885CYP4F2 683/4885CYP4A11 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.

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