SCHEMBL4282482

SCHEMBL4282482

[O]C(c1ccccc1)C(c1ccccc1)C([O])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SRC P12931 2/20 0.42
CYP2D6 P10635 1/20 0.42
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
TRPA1 O75762 1/20 0.39
HTR2A P28223 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL4276631 0.84 CES2 (0.50) CES2CES1SRCCYP2D6DPP4
SCHEMBL11212730 0.77 CES2 (0.44) CES2CES1SRCCYP2D6DPP4
SCHEMBL3381285 0.74 TAAR1 (0.44) CES2CES1SRCCYP2D6TSHR
SCHEMBL6957921 0.74 TSHR (0.52) CES2CES1SRCCYP2D6DPP4
SCHEMBL6959142 0.74 CES2 (0.42) CES2CES1SRCCYP2D6DPP4
SCHEMBL41570 0.71 CES2 (0.50) CES2CES1SRCCYP2D6DPP4
SCHEMBL2050459 0.71
SCHEMBL7847252 0.70 ADRA2A (0.54) SRCCYP2D6DPP4F2LMNA
SCHEMBL10541083 0.70 TSHR (0.48) CES2CES1SRCCYP2D6TSHR
SCHEMBL1403051 0.70 ADRA2A (0.54) SRCCYP2D6DPP4F2LMNA

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-7615660-B2 Production process of alkoxy-titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-10 US disclosed
US-20080306293-A1 Production Process of Alkoxy-Titanium Complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-11 US disclosed
EP-1845101-A1 METHOD FOR PRODUCING ALKOXYTITANIUM COMPLEX Sumitomo Chemical Company, Limited (JP) 2007-10-17 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-20080306293-A1 Production Process of Alkoxy-Titanium Complex ABL1, H1-10, ALK CES2 3184/4885CES1 3119/4885SRC 1126/4885

“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.