SCHEMBL3675752

SCHEMBL3675752

CCCCC(C(=O)OCC)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
FDPS P14324 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP3A4 P08684 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMPD1 P17405 2/20 0.33

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
SCHEMBL9000615 0.95 POLB (0.42) POLBFDPSSMPD1
SCHEMBL9234014 0.93 SMPD1 (0.42) POLBFDPSSMPD1
SCHEMBL3674519 0.93 SMPD1 (0.42) POLBFDPSSMPD1
SCHEMBL10847001 0.91 POLB (0.41) POLBCA1CA2CYP3A4TSHR
SCHEMBL1051880 0.89 POLB (0.53) POLBFDPSCYP3A4TSHRALDH1A1
SCHEMBL10451891 0.88 CA1 (0.49) POLBFDPSCA1CA2CYP3A4
SCHEMBL8616279 0.88 POLB (0.39) POLBCA1CA2CYP3A4TSHR
SCHEMBL1759172 0.86 POLB (0.38) POLBCA1CA2CYP3A4TSHR
SCHEMBL720148 0.86 POLB (0.38) POLBCA1CA2CYP3A4L3MBTL1
SCHEMBL1903133 0.84 CA2 (0.42) POLBFDPSCA1CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109666637-B Application of Vgamma 9 Vdelta 2T and agonist thereof in treatment of hepatic fibrosis, liver cirrhosis and liver cancer 清华大学 2023-04-11 CN disclosed
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
US-20170210711-A1 COMPETITIVE PPAR-GAMMA ANTAGONISTS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2017-07-27 US disclosed
US-20170210711-A1 COMPETITIVE PPAR-GAMMA ANTAGONISTS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2017-07-27 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
EP-2203161-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Indiana University Research and Technology Corporation (US) 2010-07-07 EP disclosed
WO-2009042544-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-04-02 WO disclosed
US-5698541-A DISEASES OF CALCIUM METABOLISM; OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1997-12-16 US disclosed
EP-0655439-A2 5,6-Bicyclic glycoprotein IIb IIIa antagonists useful in inhibition of platelet aggregation ELI LILLY AND COMPANY (US) 1995-05-31 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 (2 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-20170210711-A1 COMPETITIVE PPAR-GAMMA ANTAGONISTS PPARA, PPARD, PPARG POLB 169/4885FDPS 2274/4885CA1 4880/4885
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 POLB 264/4885FDPS 1009/4885CA1 4364/4885

“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.