SCHEMBL7595684

SCHEMBL7595684

CC1(C)OCC(COc2ccc(Oc3cccc(F)c3)cc2)O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.48
DRD4 P21917 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL19560079 0.91 MAPK14 (0.52) MAPK14DRD4ALDH1A1TP53CYP3A4
SCHEMBL7594473 0.89 MAPK14 (0.48) MAPK14FFAR4
SCHEMBL10387224 0.87 MAPK14 (0.50) MAPK14DRD4TP53TSHR
SCHEMBL9833970 0.87 MAPK14 (0.50) MAPK14DRD4TP53TSHR
SCHEMBL9833964 0.87 MAPK14 (0.50) MAPK14DRD4TP53TSHR
SCHEMBL8994562 0.86 TDP1 (0.53) MAPK14
SCHEMBL9774729 0.83 MAPK14 (0.53) MAPK14DRD4ALDH1A1TP53TSHR
SCHEMBL9774733 0.83 MAPK14 (0.53) MAPK14DRD4ALDH1A1TP53TSHR
SCHEMBL22710272 0.80 TDP1 (0.59) MAPK14ALDH1A1TP53CYP3A4TSHR
SCHEMBL12661468 0.77 ALDH1A1 (0.54) MAPK14DRD4ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020040027-A1 Method for the prevention of the reinfestation of warm-blooded animals by ectoparasites KARRER FRIEDRICH (CH) 2002-04-04 US disclosed
EP-0933998-A1 METHOD FOR THE PREVENTION OF THE REINFESTATION OF WARM-BLOODED ANIMALS BY ECTOPARASITES Novartis AG (CH) 1999-08-11 EP disclosed
WO-1998016107-A1 METHOD FOR THE PREVENTION OF THE REINFESTATION OF WARM-BLOODED ANIMALS BY ECTOPARASITES NOVARTIS AG (CH) 1998-04-23 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-20020040027-A1 Method for the prevention of the reinfestation of warm-blooded animals by ectoparasites SERPINC1, RXFP3, SERPINA3 MAPK14 3197/4885DRD4 2850/4885FFAR4 4593/4885

“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.