SCHEMBL12414787

SCHEMBL12414787

CCCOCCOCCOCCOCCOCCOC(=O)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
AHR P35869 1/20 0.38
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TBXAS1 P24557 5/20 0.33
CYP26A1 O43174 1/20 0.33
GAA P10253 1/20 0.33
CYP24A1 Q07973 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL15464597 0.92 ALDH1A1 (0.36) AHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL12016624 0.92 ALDH1A1 (0.36) AHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL12467754 0.92 ALDH1A1 (0.36) AHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL15465728 0.92 ALDH1A1 (0.36) AHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL2899421 0.90 AHR (0.40) THRBAHRCYP19A1ALDH1A1CYP1A2
SCHEMBL16214294 0.88 ABCB11 (0.35) AHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL19240712 0.88 ABCB11 (0.35) AHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL12016623 0.87 ALDH1A1 (0.39) AHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL15583426 0.86 TBXAS1 (0.34) AHRALDH1A1TBXAS1CYP24A1TDP1
SCHEMBL12468229 0.84 TDP1 (0.32) AHRALDH1A1TBXAS1CYP24A1TDP1

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-20110165037-A1 INTERFACES THAT ELIMINATE NON-SPECIFIC ADSORPTION, AND INTRODUCE SPECIFIC INTERACTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-07 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-20110165037-A1 INTERFACES THAT ELIMINATE NON-SPECIFIC ADSORPTION, AND INTRODUCE SPECIFIC INTERACTIONS EPCAM, SLCO2B1, SLCO4C1 THRB 1464/4885AHR 2269/4885CYP19A1 2154/4885

“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.