SCHEMBL3217573

SCHEMBL3217573

OCCCCCOc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
KCNA3 P22001 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRMT1 Q99873 3/20 0.41
F2 P00734 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41

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
SCHEMBL7682168 1.00 CYP2D6 (0.48) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL27891191 0.98 CYP2D6 (0.50) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL4495041 0.91 CYP2D6 (0.52) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL9804775 0.89 CYP2D6 (0.66) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL1097898 0.85 ALDH1A1 (0.60) CYP2D6CYP3A4LMNANPC1SMN1; SMN2
SCHEMBL9804722 0.84 KDM4E (0.50) CYP2D6CYP3A4NPC1SMN1; SMN2CYP1A2
SCHEMBL9804676 0.84 KDM4E (0.50) CYP2D6CYP3A4NPC1SMN1; SMN2CYP1A2
SCHEMBL19621751 0.84 PRMT1 (0.54) CYP2D6ALDH1A1RECQLKCNA3TSHR
SCHEMBL10731573 0.82 KCNA3 (0.55) CYP2D6ALDH1A1RECQLKCNA3L3MBTL1
SCHEMBL12743776 0.82 CYP2D6 (0.59) CYP2D6CYP3A4LMNANPC1SMN1; SMN2

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-20100055056-A1 AGENT FOR IMPROVING PERMEATION OF A DRUG INTO A NAIL AND AN EXTERNAL TREATING AGENT CONTAINING THE SAME SATO PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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-20100055056-A1 AGENT FOR IMPROVING PERMEATION OF A DRUG INTO A NAIL AND AN EXTERNAL TREATING AGENT CONTAINING THE SAME ETF1, POLR1C, NACA CYP2D6 429/4885CYP3A4 1177/4885LMNA 4147/4885

“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.