SCHEMBL2851183

SCHEMBL2851183

COCOc1ccc(F)c(F)c1CO

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.33
EGFR P00533 2/20 0.32
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KDM1A O60341 2/20 0.31
ANO1 Q5XXA6 1/20 0.30

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
SCHEMBL3106681 0.86 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL4300393 0.85 GNRHR (0.38) KCNN4EGFRHTR2AHTR2CHTR2B
SCHEMBL28892422 0.84 L3MBTL1 (0.41) CYP4F2CYP4A11KDM1A
SCHEMBL13577117 0.83 L3MBTL1 (0.36) HTR2AHTR2CHTR2BANO1
SCHEMBL3105557 0.82 HTR2A (0.41) HTR2AHTR2CHTR2BCYP4F2CYP4A11
SCHEMBL31566435 0.80 FFAR1 (0.37) KCNN4HTR2AHTR2CHTR2BKDM1A
SCHEMBL12587447 0.76 BACE1 (0.34) KCNN4EGFRCYP4F2CYP4A11
SCHEMBL24716971 0.76 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL13577116 0.76 L3MBTL1 (0.38) HTR2AHTR2CHTR2B
SCHEMBL12770906 0.75 EGFR (0.39) EGFRCYP4F2CYP4A11

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-20100130514-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130514-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130514-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2145889-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-20 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-20100130514-A1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES SHBG, CYP19A1, CYP21A2 KCNN4 3241/4885EGFR 634/4885HTR2A 994/4885

“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.