SCHEMBL2400600

SCHEMBL2400600

Fc1ccc2c(c1)C=C[C@@H]([C@H]1CO1)O2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
P2RY6 Q15077 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
CA2 P00918 1/20 0.30
CYP19A1 P11511 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
SCHEMBL2400679 1.00 HTR2C (0.36) HTR2CP2RY6TMEM97DRD2HTR2A
SCHEMBL2399979 1.00 HTR2C (0.36) HTR2CP2RY6TMEM97DRD2HTR2A
SCHEMBL1922162 1.00 HTR2C (0.36) HTR2CP2RY6TMEM97DRD2HTR2A
SCHEMBL1923837 1.00 HTR2C (0.36) HTR2CP2RY6TMEM97DRD2HTR2A
SCHEMBL8170741 0.81 HTR2C (0.33) HTR2CDRD2HTR2A
SCHEMBL15372185 0.81 HTR2C (0.33) HTR2CDRD2HTR2A
SCHEMBL12847217 0.81 HTR2C (0.33) HTR2CDRD2HTR2A
SCHEMBL10441576 0.81 HTR2C (0.33) HTR2CDRD2HTR2A
SCHEMBL2257173 0.81 HTR2C (0.33) HTR2CDRD2HTR2A
SCHEMBL1735849 0.76 ABCG2 (0.32) HTR2C

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-8981127-B2 Method for preparing nebivolol ZACH SYSTEM (FR) 2015-03-17 US disclosed
EP-2328883-B1 METHOD FOR PREPARING NEBIVOLOL ZACH SYSTEM (FR) 2014-08-06 EP disclosed
US-20110237808-A1 METHOD FOR PREPARING NEBIVOLOL ZACH SYSTEM (FR) 2011-09-29 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-20110237808-A1 METHOD FOR PREPARING NEBIVOLOL ADRB1, ADRA1B, ADRB2 HTR2C 1494/4885P2RY6 3776/4885TMEM97 1656/4885

“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.