SCHEMBL18835574

SCHEMBL18835574

CC1(C)CCCC2(C)CC[C@H](O)C12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TRPA1 O75762 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14879736 1.00 CYP3A4 (0.36) CYP3A4MAPTRECQLTRPA1GAA
SCHEMBL14879813 1.00 CYP3A4 (0.36) CYP3A4MAPTRECQLTRPA1GAA
SCHEMBL6066010 0.67 CYP3A4 (0.33) CYP3A4MAPTRECQL
SCHEMBL3697329 0.65 CYP3A4 (0.41) CYP3A4MAPTRECQLTRPA1ALDH1A1
SCHEMBL31410914 0.63 PTPN1 (0.35) CYP3A4MAPTRECQLALDH1A1
SCHEMBL4220894 0.63 EBP (0.42) MAPTGAAALDH1A1
SCHEMBL11797090 0.63 PTPN1 (0.35) CYP3A4MAPTRECQLALDH1A1
SCHEMBL7615076 0.63 SMN1; SMN2 (0.37) CYP3A4MAPTRECQLALDH1A1
SCHEMBL14881899 0.63 CYP3A4 (0.36) CYP3A4MAPTRECQL
SCHEMBL731702 0.62 — —

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-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, 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-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE CRYAB, CRYAA, PDE6C CYP3A4 4427/4885MAPT 1097/4885RECQL 1333/4885

“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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