SCHEMBL4274555

SCHEMBL4274555

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTPN1 P18031 1/20 0.38
ACP3 P15309 2/20 0.38
CYP2D6 P10635 1/20 0.37
TSHR P16473 3/20 0.36
DPP4 P27487 2/20 0.36
KCNN4 O15554 1/20 0.36
F2 P00734 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL28837273 0.80 SRC (0.39) SRCCES2CES1PTPN1ACP3
SCHEMBL4274915 0.78 SRC (0.38) SRCCES2CES1PTPN1ACP3
SCHEMBL4279202 0.78 SRC (0.34) SRCCES2CES1PTPN1ACP3
SCHEMBL4284038 0.73 SRC (0.34) SRCCES2CES1PTPN1ACP3
SCHEMBL5042134 0.72 ATM (0.42) SRCCES2CES1CYP2D6TSHR
SCHEMBL17956469 0.72 TSHR (0.43) SRCCES2CES1CYP2D6TSHR
SCHEMBL382252 0.72 ACP3 (0.42) SRCCES2CES1PTPN1ACP3
SCHEMBL6571171 0.69 CYP1A2 (0.42) CES2CES1ACP3CYP2D6
SCHEMBL1055908 0.69 CYP2D6 (0.42) SRCCYP2D6ALDH1A1LMNAMAPK1
SCHEMBL17931025 0.69 TSHR (0.39) SRCCES2CES1CYP2D6TSHR

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 SRC 1126/4885CES2 3184/4885CES1 3119/4885

“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.