SCHEMBL16710232

SCHEMBL16710232

CC(=O)NC1C(Oc2cc3ccccc3cc2O)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
ALDH1A1 P00352 2/20 0.63
POLB P06746 2/20 0.63
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 1/20 0.57
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 1/20 0.47
MMP12 P39900 1/20 0.45
TGM2 P21980 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
P4HB P07237 1/20 0.44
PDIA4 P13667 1/20 0.44
PDIA3 P30101 1/20 0.44
CA4 P22748 1/20 0.43

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
SCHEMBL20035072 0.89 P4HB (0.53) LMNAKMT2ACYP3A4CYP2C9TSHR
SCHEMBL20035071 0.89 P4HB (0.53) LMNAKMT2ACYP3A4CYP2C9TSHR
SCHEMBL18136409 0.89 P4HB (0.53) LMNAKMT2ACYP3A4CYP2C9TSHR
SCHEMBL16710235 0.89 P4HB (0.53) LMNAKMT2ACYP3A4CYP2C9TSHR
SCHEMBL16710218 0.88 TSHR (0.55) LMNAKMT2ACYP3A4CYP2C9TSHR
SCHEMBL20633948 0.88 TSHR (0.55) LMNAKMT2ACYP3A4CYP2C9TSHR
SCHEMBL18134222 0.84 TSHR (0.47) LMNAALDH1A1POLBKMT2ACYP3A4
SCHEMBL23480052 0.83 LMNA (0.64) LMNAALDH1A1POLBKMT2AKDM4E
SCHEMBL30578065 0.83 LMNA (0.64) LMNAALDH1A1POLBKMT2AKDM4E
SCHEMBL18134221 0.83 P4HB (0.47) LMNAALDH1A1POLBKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10443084-B2 Naphthalene derived chromogenic enzyme substrates GLYCOSYNTH LIMITED (GB) 2019-10-15 US disclosed
US-9938562-B2 Naphthalene derived chromogenic enzyme substrates GLYCOSYNTH LIMITED (GB) 2018-04-10 US disclosed
US-9938562-B2 Naphthalene derived chromogenic enzyme substrates GLYCOSYNTH LIMITED (GB) 2018-04-10 US disclosed
US-20160298167-A1 NAPHTHALENE DERIVED CHROMOGENIC ENZYME SUBSTRATES GLYCOSYNTH LIMITED (GB) 2016-10-13 US disclosed
US-20160298167-A1 NAPHTHALENE DERIVED CHROMOGENIC ENZYME SUBSTRATES GLYCOSYNTH LIMITED (GB) 2016-10-13 US disclosed
WO-2015067927-A1 NAPHTHALENE DERIVED CHROMOGENIC ENZYME SUBSTRATES GLYCOSYNTH LIMITED (GB) 2015-05-14 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 (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-10443084-B2 Naphthalene derived chromogenic enzyme substrates MGAM, UGDH, ME1 LMNA 2098/4885ALDH1A1 669/4885POLB 2235/4885
US-20160298167-A1 NAPHTHALENE DERIVED CHROMOGENIC ENZYME SUBSTRATES CYP2R1, TDO2, XDH LMNA 1727/4885ALDH1A1 929/4885POLB 2406/4885

“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.