SCHEMBL791460

SCHEMBL791460

COCCc1ccccc1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.50
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL2873340 0.87 TSHR (0.45) KDM4EALDH1A1
SCHEMBL30278981 0.87 TSHR (0.45) KDM4EALDH1A1
SCHEMBL11747828 0.86 HTR2A (0.57) HTR1ADRD2LMNASMN1; SMN2
SCHEMBL58391 0.84 KDM4E (0.49) KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL12016017 0.83 ABCB1 (0.54) ABCB1HTR1ADRD2ABCG2
Methoxymethane SCHEMBL19924624 0.82 KDM4E (0.47) KDM4ELMNASMN1; SMN2ALDH1A1
Fluoride SCHEMBL28760319 0.82 KDM4E (0.47) KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL55137 0.82 HTR1A (0.58) ABCB1HTR1ADRD2SMN1; SMN2ALDH1A1
SCHEMBL15184061 0.78 TSHR (0.39) KDM4ELMNAALDH1A1
SCHEMBL8142708 0.77 TSHR (0.38) KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ABCB1 593/4885HTR1A 4866/4885DRD2 4479/4885

“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.