SCHEMBL4282489

SCHEMBL4282489

[O]CC([O])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HTR2A P28223 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
HRH1 P35367 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
GRM7 Q14831 1/20 0.39
MAPK1 P28482 1/20 0.39
TRPA1 O75762 1/20 0.37

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
SCHEMBL4278718 0.80 CES2 (0.44) CES2CES1HTR2ATAAR1CYP2D6
SCHEMBL4269860 0.79 HRH1 (0.41) CES2CES1HTR2ATAAR1CYP2D6
SCHEMBL193834 0.77 HTR2A (0.52) HTR2ATAAR1CYP2D6SRCDPP4
SCHEMBL6963045 0.76 CYP2D6 (0.44) CES2CES1HTR2ATAAR1CYP2D6
SCHEMBL6967520 0.76 TSHR (0.43) CES2CES1HTR2ATAAR1CYP2D6
SCHEMBL27400 0.76 LMNA (0.52) CES2CES1HTR2ATAAR1LMNA
SCHEMBL8845699 0.76 CES2 (0.41) CES2CES1HTR2ATAAR1CYP2D6
SCHEMBL8471000 0.76 CES2 (0.46) CES2CES1HTR2ATAAR1CYP2D6
SCHEMBL4275218 0.74 GABBR2 (0.46) HTR2ATAAR1CYP2D6SRCDPP4
SCHEMBL1155499 0.74 EPHX1 (0.50) CES2CES1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4271307-A Bichromophoric benzotriazole-benzoxazole ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1981-06-02 US claimed
US-4087426-A Oxybisberberine and a process for its production RESEARCH CORPORATION (US) 1978-05-02 US claimed
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
EP-0970964-B1 Method for producing a titanium complex SUMITOMO CHEMICAL CO (JP) 2004-04-21 EP disclosed
US-6090961-A Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0970964-A2 Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed
US-4283333-A α-[4-Oxoazetidin-1-yl]-acetic acid compounds useful as intermediates in preparing 1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1981-08-11 US disclosed
US-4087426-A Oxybisberberine and a process for its production RESEARCH CORPORATION (US) 1978-05-02 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-20080306293-A1 Production Process of Alkoxy-Titanium Complex ABL1, H1-10, ALK CES2 3184/4885CES1 3119/4885HTR2A 3390/4885

“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.