SCHEMBL3221935

SCHEMBL3221935

CCCCCCCOc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP3A4 P08684 2/20 0.47
LTA4H P09960 1/20 0.46
LMNA P02545 4/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL4885285 1.00 SOAT1 (0.49) SOAT1CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL29869794 1.00 SOAT1 (0.49) SOAT1CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL7453009 1.00 SOAT1 (0.49) SOAT1CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL28251708 1.00 SOAT1 (0.49) SOAT1CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL675902 1.00 SOAT1 (0.49) SOAT1CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL21494430 1.00 SOAT1 (0.49) SOAT1CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL423447 0.98 CYP2D6 (0.50) SOAT1CYP2D6CYP1A2CYP19A1CYP2C9
SCHEMBL29379587 0.92 CYP2C19 (0.56) CYP2D6CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL6803 0.92 CYP2C19 (0.56) CYP2D6CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2271442 0.89 TSHR (0.46) SOAT1CYP3A4LMNAALOX12FAAH

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 4 patents. 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
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
WO-1996003379-A1 THE ALKOXYLATION OF HETEROCYCLIC COMPOUNDS IN THE PRESENCE OF FLUORINE BNFL FLUOROCHEMICALS LTD. (GB) 1996-02-08 WO 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 SOAT1 1036/4885CYP2D6 429/4885CYP1A2 418/4885

“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.