SCHEMBL4633747

SCHEMBL4633747

CCN(CC)Cc1c[nH]c2cc(F)c(F)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.68
GPR84 Q9NQS5 2/20 0.61
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HTR1A P08908 5/20 0.49
HTR2A P28223 4/20 0.46
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43

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
SCHEMBL4601852 0.84 HTR1A (0.69) MPOGPR84HTR1AHTR2AHTR1D
SCHEMBL27396037 0.83 MPO (0.62) MPOGPR84KDM4EALDH1A1MAPT
SCHEMBL29445177 0.83 GPR84 (0.65) MPOGPR84KDM4EALDH1A1MAPT
SCHEMBL8222885 0.83 GPR84 (0.65) MPOGPR84KDM4EALDH1A1MAPT
SCHEMBL24358682 0.80 GPR84 (0.71) MPOGPR84KMT2AHTR1AHTR2A
SCHEMBL30877219 0.80 HTR2A (0.71) MPOGPR84HSD17B10HTR1AHTR2A
SCHEMBL24693829 0.80 HTR2A (0.71) MPOGPR84HSD17B10HTR1AHTR2A
SCHEMBL27377337 0.78 MPO (0.56) MPOKDM4EALDH1A1MAPTMEN1
SCHEMBL13715348 0.77 GPR84 (0.67) MPOGPR84KMT2AHTR1AHTR2A
SCHEMBL30877226 0.76 HTR2A (0.63) MPOGPR84KDM4EALDH1A1HSD17B10

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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MPO 4631/4885GPR84 323/4885KDM4E 1229/4885

“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.