SCHEMBL7128925

SCHEMBL7128925

COc1ccc(C(CO)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C9 P11712 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP17A1 P05093 1/20 0.49
AOC3 Q16853 2/20 0.48
ACP3 P15309 1/20 0.48
GPR88 Q9GZN0 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
LDHA P00338 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL15617596 0.94 ACP3 (0.58) ABCB11CYP2C9ACP3GPR88L3MBTL1
SCHEMBL3941057 0.90 ABCB11 (0.49) ABCB11CA1CA2TSHRCYP2C9
SCHEMBL19984896 0.90 TDP1 (0.51) ABCB11CA1CA2TSHRCYP2C9
SCHEMBL11351348 0.82 CA1 (0.50) CA1CA2TSHRCA12CA7
SCHEMBL9711999 0.82 ABCB11 (0.52) ABCB11CA1CA2TSHRCYP2C9
SCHEMBL7610044 0.81 KIF11 (0.49) ABCB11TSHRCYP2C9CYP17A1AOC3
SCHEMBL4447091 0.80 ABCB11 (0.47) ABCB11TSHRCYP2C9CYP17A1ACP3
SCHEMBL4372787 0.80 AOC3 (0.61) ABCB11CA1CA2TSHRCYP2C9
SCHEMBL7419755 0.80 ABCB11 (0.70) ABCB11CA1CA2TSHRCYP2C9
SCHEMBL17660055 0.80 AOC3 (0.61) ABCB11CA1CA2TSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109456161-A A kind of method of visible light catalytic oxidation fracture carbon-carbon bond 中国科学院大连化学物理研究所 2019-03-12 CN claimed
CN-109456160-A A kind of method of photochemical catalytic oxidation fracture lignin model compound 中国科学院大连化学物理研究所 2019-03-12 CN claimed
CN-109456161-A A kind of method of visible light catalytic oxidation fracture carbon-carbon bond 中国科学院大连化学物理研究所 2019-03-12 CN disclosed
EP-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed
US-9387254-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC (US) 2016-07-12 US disclosed
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC 2014-10-02 US disclosed
US-8680315-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX, LLC (US) 2014-03-25 US disclosed
EP-1317461-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2003-06-11 EP disclosed
WO-2002022623-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2002-03-21 WO disclosed
EP-0859770-A4 1998-10-07 EP disclosed
EP-0859770-A1 PROCESS FOR THE SYNTHESIS OF BENZO b]THIOPHENES ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1996040676-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO 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-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP ABCB11 2/4885CA1 620/4885CA2 2288/4885

“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.