SCHEMBL7004928

SCHEMBL7004928

COc1cc(C=O)c(O)c(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 0.67
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PRKDC P78527 1/20 0.48

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
SCHEMBL16385983 0.89 ERN1 (0.67) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL5144957 0.85 ERN1 (0.59) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL16093496 0.85 ERN1 (0.62) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL16093499 0.85 ERN1 (0.62) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL11999813 0.84 ERN1 (0.61) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL13079432 0.82 ERN1 (0.56) ERN1TDP1TLR2TLR1TLR6
SCHEMBL3751505 0.82 ALDH1A1 (0.59) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL28020131 0.81 ERN1 (0.62) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL9860690 0.80 ERN1 (0.57) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL12766804 0.80 ERN1 (1.00) ERN1

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
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-2019152911-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES EVERETT STEVEN ALBERT (US) 2019-08-08 WO disclosed
WO-2019152955-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE EVERETT STEVEN ALBERT (US) 2019-08-08 WO disclosed
CN-103896895-A Method for preparing coumarin derivative UNIV ZHEJIANG TECHNOLOGY 2014-07-02 CN disclosed
CN-1117093-C Pyrazolo [1, 5-a ] pyrimidine derivatives, their use and compositions OTSUKA PHARMA CO LTD (JP) 2003-08-06 CN disclosed
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
CN-1299362-A Pyrazolo [1,5-a] pyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 2001-06-13 CN disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 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 (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 ERN1 2698/4885KDM4E 1495/4885ALDH1A1 3278/4885
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS ERN1 2708/4885KDM4E 1764/4885ALDH1A1 2475/4885
US-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE ZYX, SLC7A5, GMPS ERN1 2775/4885KDM4E 1832/4885ALDH1A1 2511/4885

“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.