SCHEMBL119674

SCHEMBL119674

COc1cc(OC)c2oc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
MAPT P10636 5/20 0.43
PDE7A Q13946 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.40
PDE3A Q14432 1/20 0.40
TLR9 Q9NR96 1/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL26244808 0.91 HTR2A (0.46) HTR2AMAPTPDE7AL3MBTL1RAB9A
SCHEMBL26244791 0.89 HTR2A (0.47) HTR2AMAPTPDE7AL3MBTL1RAB9A
SCHEMBL7164084 0.77 HTR2A (0.64) HTR2AMAPTPDE7AL3MBTL1RAB9A
SCHEMBL120371 0.76 HTR2A (0.49) HTR2AMAPTRAB9AGAAKDM4E
SCHEMBL9846652 0.76 HTR2A (0.54) HTR2AMAPTGAAALDH1A1HTT
SCHEMBL30679539 0.76 HTR2A (0.62) HTR2AMAPTPDE7AL3MBTL1RAB9A
SCHEMBL7519250 0.74 HTR2A (0.55) HTR2AGAAALDH1A1HTTKMT2A
SCHEMBL6594172 0.74 HTR2A (0.74) HTR2AMAPTL3MBTL1RAB9AGAA
SCHEMBL5022220 0.74 HTR2A (0.63) HTR2AMAPTPDE7ARAB9AGAA
SCHEMBL29462425 0.74 SMN1; SMN2 (0.55) HTR2AMAPTRAB9AGAAKDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4691558-A2 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS University Court of The University of Dundee (GB) 2026-02-11 EP disclosed
US-20250295789-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2025-09-25 US disclosed
EP-2857018-B1 Treatment or prophylaxis of proliferative conditions UNIV COURT OF THE UNIV OF DUNDEE (GB) 2025-09-03 EP disclosed
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 US disclosed
US-20220031852-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2022-02-03 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
US-20200360521-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2020-11-19 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
US-9919060-B2 Treatment or prophylaxis of proliferative conditions UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2018-03-20 US disclosed
US-20170368188-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2017-12-28 US disclosed
EP-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed
US-20150011512-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2015-01-08 US disclosed
US-20120302748-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2012-11-29 US disclosed
US-8283340-B2 Treatment or prophylaxis of proliferative conditions The University of the University of Dundee (GB) 2012-10-09 US disclosed
US-20120190639-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2012-07-26 US disclosed
EP-2424524-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS University Court of The University of Dundee (GB) 2012-03-07 EP disclosed
US-20100305070-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-12-02 US disclosed
WO-2010125350-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-11-04 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 (11 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-20100305070-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS BRCA1, CYP1B1, UGT1A1 HTR2A 2118/4885MAPT 4538/4885PDE7A 1793/4885
US-20200360521-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 HTR2A 2383/4885MAPT 4494/4885PDE7A 1552/4885
US-20210380626-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES ZYX, KRAS, SLC7A5 HTR2A 4217/4885MAPT 4676/4885PDE7A 1672/4885
US-20120302748-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS BRCA1, CYP1B1, UGT1A1 HTR2A 2118/4885MAPT 4538/4885PDE7A 1793/4885
US-20120190639-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 HTR2A 2383/4885MAPT 4494/4885PDE7A 1552/4885
US-20220031852-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 HTR2A 2383/4885MAPT 4494/4885PDE7A 1552/4885
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS HTR2A 4143/4885MAPT 4486/4885PDE7A 265/4885
US-20250295789-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, BRCA1, UGT1A1 HTR2A 2049/4885MAPT 4488/4885PDE7A 1487/4885
US-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE ZYX, SLC7A5, GMPS HTR2A 4138/4885MAPT 4465/4885PDE7A 285/4885
US-20170368188-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 HTR2A 2121/4885MAPT 4628/4885PDE7A 1182/4885
US-20150011512-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 HTR2A 2383/4885MAPT 4494/4885PDE7A 1552/4885

“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.