SCHEMBL21230516

SCHEMBL21230516

COC(=O)c1cc2cc(OC)cc(C)c2o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIM1 P11309 1/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL15200323 0.87 HPGD (0.51) HPGDCYP3A4NPC1RAB9AKDM4E
SCHEMBL15200325 0.86 PIM1 (0.54) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL5829219 0.84 PIM1 (0.46) HPGDCYP3A4MAPTNPC1RAB9A
SCHEMBL21230547 0.84 MAPT (0.56) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL10044951 0.82 OXTR (0.41) HPGDCYP3A4MAPTNPC1RAB9A
SCHEMBL21230512 0.82 ALDH1A1 (0.43) HPGDCYP3A4MAPTNPC1RAB9A
SCHEMBL26244639 0.80 MAPT (0.44) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL21230513 0.79 KDM4E (0.39) MAPTNPC1RAB9AKDM4ETSHR
SCHEMBL21230521 0.77 SLC22A12 (0.41) HPGDCYP3A4MAPTNPC1RAB9A
SCHEMBL3076627 0.76 LMNA (0.51) MAPTNPC1RAB9ACASP3SENP7

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-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 US disclosed
US-20210380626-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES MAVERIX ONCOLOGY, INC. 2021-12-09 US disclosed
US-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE MAVERIX ONCOLOGY, INC. 2021-02-11 US disclosed
WO-2019152955-A9 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE EVERETT STEVEN ALBERT (US) 2020-08-13 WO disclosed
WO-2019152955-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE EVERETT STEVEN ALBERT (US) 2019-08-08 WO disclosed
WO-2019152911-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES EVERETT STEVEN ALBERT (US) 2019-08-08 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 (3 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-20210380626-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES ZYX, KRAS, SLC7A5 HPGD 4785/4885CYP3A4 3982/4885MAPT 4676/4885
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS HPGD 4502/4885CYP3A4 3627/4885MAPT 4486/4885
US-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE ZYX, SLC7A5, GMPS HPGD 4461/4885CYP3A4 3590/4885MAPT 4465/4885

“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.