SCHEMBL9893777

SCHEMBL9893777

CCCOc1c(C=O)cc(C=O)cc1B(O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.36
ALDH1A1 P00352 8/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
TLR4 O00206 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SRC P12931 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL9946010 0.91 ERN1 (0.35) ERN1ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL9946012 0.84 SRC (0.45) ERN1ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL15106618 0.77 SRC (0.44) ERN1ALDH1A1CYP1A2CYP2C19TLR4
SCHEMBL14988453 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL16687428 0.74 ALDH1A3 (0.41) ERN1KDM4ESRC
SCHEMBL9097669 0.73 FDPS (0.47) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL23996066 0.72 KDM4E (0.31) KDM4E
SCHEMBL1300716 0.72 ERN1 (0.39) ERN1ALDH1A1MEN1KMT2AHPGD
SCHEMBL565487 0.71 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL12538919 0.71 SRC (0.47) ERN1ALDH1A1CYP1A2CYP2C19KDM4E

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
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2022-01-20 US claimed
US-20180303100-A1 SELF-ASSEMBLED ACTIVE AGENTS METHOD PRODUCTS, PBC 2018-10-25 US claimed
WO-2018164994-A1 SELF-ASSEMBLED ACTIVE AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2018-09-13 WO claimed
US-20240373854-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2024-11-14 US disclosed
US-11723362-B2 Broad-spectrum synergistic antimicrobial compositions -The United States of America, as represented by The Secretary of Agriculture (US) 2023-08-15 US disclosed
EP-4030915-A1 BROAD-SPECTRUM SYNERGISTIC ANTIMICROBIAL COMPOSITIONS The United States of America as represented by the Secretary of Agriculture (US) 2022-07-27 EP disclosed
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2022-01-20 US disclosed
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS METHODS PRODUCTS PBC 2022-01-20 US disclosed
US-11166464-B2 Self-assembled active agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-11-09 US disclosed
US-11166464-B2 Self-assembled active agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-11-09 US disclosed
US-20210084896-A1 BROAD-SPECTRUM SYNERGISTIC ANTIMICROBIAL COMPOSITIONS METHOD PRODUCTS, PBC, 2021-03-25 US disclosed
US-20180303100-A1 SELF-ASSEMBLED ACTIVE AGENTS METHOD PRODUCTS, PBC 2018-10-25 US disclosed
WO-2018164994-A1 SELF-ASSEMBLED ACTIVE AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2018-09-13 WO disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US 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 (8 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ERN1 2855/4885ALDH1A1 4010/4885CYP1A2 2891/4885
US-11723362-B2 Broad-spectrum synergistic antimicrobial compositions HAO2, CAT, NACA ERN1 3391/4885ALDH1A1 669/4885CYP1A2 316/4885
US-11166464-B2 Self-assembled active agents PCNA, POLM, MUS81 ERN1 1744/4885ALDH1A1 110/4885CYP1A2 3390/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ERN1 2855/4885ALDH1A1 4010/4885CYP1A2 2891/4885
US-20180303100-A1 SELF-ASSEMBLED ACTIVE AGENTS PCNA, POLM, MUS81 ERN1 1744/4885ALDH1A1 110/4885CYP1A2 3390/4885
US-20210084896-A1 BROAD-SPECTRUM SYNERGISTIC ANTIMICROBIAL COMPOSITIONS HAO2, CAT, NACA ERN1 3391/4885ALDH1A1 669/4885CYP1A2 316/4885
US-20240373854-A1 SELF-ASSEMBLED ACTIVE AGENTS PCNA, POLM, MUS81 ERN1 1744/4885ALDH1A1 110/4885CYP1A2 3390/4885
US-20220015367-A1 SELF-ASSEMBLED ACTIVE AGENTS PCNA, POLM, MUS81 ERN1 1744/4885ALDH1A1 110/4885CYP1A2 3390/4885

“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.