SCHEMBL5752923

SCHEMBL5752923

O=[C]C1CC=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
TP53 P04637 1/20 0.31
RECQL P46063 1/20 0.31
ATM Q13315 1/20 0.30
CYP2D6 P10635 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
SCHEMBL9521913 0.81 ATM (0.36) HTR2AATM
SCHEMBL7753185 0.79 CYP2D6 (0.30) CYP2D6
SCHEMBL2528767 0.74 HTR2A (0.38) HTR2ABRD4CCL2TP53RECQL
SCHEMBL19291154 0.73 HTR2A (0.32) HTR2A
SCHEMBL7214849 0.73 HTR2A (0.40) HTR2ABRD4CCL2TP53RECQL
SCHEMBL21158160 0.71 HTR2A (0.39) HTR2ABRD4CCL2TP53RECQL
SCHEMBL1974788 0.69 HTR2A (0.38) HTR2ABRD4CCL2TP53CYP2D6
SCHEMBL2875769 0.69 BRD4 (0.38) HTR2ABRD4CCL2TP53CYP2D6
SCHEMBL6311766 0.69 HTR2A (0.38) HTR2ABRD4CCL2TP53CYP2D6
SCHEMBL6246911 0.69 HTR2A (0.38) HTR2ABRD4CCL2TP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US claimed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US claimed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP claimed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP HTR2A 705/4885BRD4 461/4885CCL2 3026/4885

“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.