SCHEMBL3286121

SCHEMBL3286121

COc1cc(Cc2cc([N+](=O)[O-])ccc2OC(=O)O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 2/20 0.52
HTT P42858 2/20 0.52
TTR P02766 2/20 0.50
MAPT P10636 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CTSD P07339 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
CRHBP P24387 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
SCHEMBL14957200 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EHTTTTR
SCHEMBL14957199 0.92 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EHTTTTR
SCHEMBL3022578 0.84 GAA (0.54) ALDH1A1SMN1; SMN2HTTMAPTCYP1A2
SCHEMBL7462244 0.83 KMT2A (0.49) ALDH1A1SMN1; SMN2HTTMAPTRAB9A
SCHEMBL7462254 0.83 KMT2A (0.49) ALDH1A1SMN1; SMN2HTTMAPTRAB9A
SCHEMBL27717169 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EHTTTTR
SCHEMBL6896026 0.81 MAPT (0.47) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL6896022 0.81 MAPT (0.47) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL1249807 0.80 HTT (0.58) ALDH1A1SMN1; SMN2HTTTTRMAPT
SCHEMBL3036335 0.80 MAPT (0.52) ALDH1A1SMN1; SMN2HTTMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10912767-B2 Anthracycline prodrugs and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-02-09 US disclosed
US-20180110756-A1 ANTHRACYCLINE PRODRUGS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2018-04-26 US disclosed
WO-2016176332-A1 ANTHRACYCLINE PRODRUGS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2016-11-03 WO disclosed
US-20130126860-A1 THIN FILM TRANSISTOR SUBSTRATE DAI NIPPON PRINTING CO., LTD. (JP) 2013-05-23 US disclosed
CN-101137620-B Alkali proliferating agent and alkali-reactive curable composition SEKISUI CHEMICAL CO LTD 2011-05-25 CN disclosed
US-7714162-B2 Base multiplying agents and base-reactive curable compositions SEKISUI CHEMICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20080200580-A1 Base Multiplying Agents and Base-Reactive Curable Compositions SEKISUI CHEMICAL CO., LTD (JP) 2008-08-21 US disclosed
CN-101137620-A Alkali proliferating agent and alkali-reactive curable composition SEKISUI CHEMICAL CO LTD (JP) 2008-03-05 CN 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-20080200580-A1 Base Multiplying Agents and Base-Reactive Curable Compositions RAD1, RAD51, REV1 ALDH1A1 756/4885SMN1; SMN2 1784/4885KDM4E 3022/4885
US-10912767-B2 Anthracycline prodrugs and methods of making and using the same TET3, DPYD, CYP2C9 ALDH1A1 90/4885SMN1; SMN2 3669/4885KDM4E 59/4885
US-20180110756-A1 ANTHRACYCLINE PRODRUGS AND METHODS OF MAKING AND USING THE SAME DPYD, TYMP, TOP1 ALDH1A1 671/4885SMN1; SMN2 2484/4885KDM4E 2073/4885

“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.