SCHEMBL19970441

SCHEMBL19970441

[CH2]c1cc2cc(OC)cc(OC)c2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
PIM1 P11309 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAOA P21397 2/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP1A2 P05177 6/20 0.36
CYP1A1 P04798 5/20 0.36

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
SCHEMBL7981839 0.74 LMNA (0.57) MAOBALDH1A1KDM4EHSD17B10CA12
SCHEMBL21224661 0.74 ALDH1A1 (0.56) MAOBMAOAALDH1A1CYP3A4KDM4E
SCHEMBL118769 0.74 SLC22A12 (0.40) MAOBPIM1ESR1ESR2MAOA
SCHEMBL120165 0.74 ERN1 (0.44) MAOBPIM1ALDH1A1CYP3A4KDM4E
SCHEMBL118295 0.74 SLC22A12 (0.42) MAOBPIM1ESR1ESR2MAOA
SCHEMBL21230502 0.74 MAOB (0.39) MAOBPIM1ESR1ESR2ALDH1A1
SCHEMBL22960809 0.73 LMNA (0.63) PIM1ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL1428881 0.71 ESR1 (0.56) MAOBESR1ESR2MAOAALDH1A1
SCHEMBL16623261 0.70 SLC22A12 (0.40) MAOBPIM1ESR1ESR2MAOA
SCHEMBL28491738 0.69 PIM1 (0.43) PIM1ALDH1A1CYP3A4KDM4ECYP1A2

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
US-9919060-B2 Treatment or prophylaxis of proliferative conditions UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2018-03-20 US claimed
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
CN-112135635-A Novel small molecule drug conjugate of gemcitabine derivative 马福瑞克斯肿瘤学股份有限公司 2020-12-25 CN disclosed
CN-112135634-A Small molecule drug conjugate of gemcitabine monophosphate 马福瑞克斯肿瘤学股份有限公司 2020-12-25 CN disclosed
EP-3746134-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE MAVERIX ONCOLOGY, INC. (US) 2020-12-09 EP disclosed
EP-3746133-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES MAVERIX ONCOLOGY, INC. (US) 2020-12-09 EP 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

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 MAOB 4134/4885PIM1 3328/4885ESR1 3741/4885
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS MAOB 3534/4885PIM1 2693/4885ESR1 4397/4885
US-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE ZYX, SLC7A5, GMPS MAOB 3447/4885PIM1 2745/4885ESR1 4400/4885

“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.