SCHEMBL723787

SCHEMBL723787

COc1cc(B(O)O)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CYP3A4 P08684 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ENPP2 Q13822 5/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HTT P42858 2/20 0.46
APP P05067 3/20 0.44
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
SCHEMBL30417277 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL3191612 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHSD17B10
Hydrochloric Acid SCHEMBL5799533 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1ENPP2CA1
SCHEMBL23114 0.81 ENPP2 (0.52) ALDH1A1CYP3A4TSHRHSD17B10ENPP2
SCHEMBL3784737 0.79 ALDH1A1 (0.59) ALDH1A1TDP1HSD17B10ENPP2L3MBTL1
SCHEMBL3786020 0.79 ENPP2 (0.37) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL25173988 0.79 ENPP2 (0.54) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL29956693 0.78 MAOB (0.57) ALDH1A1TDP1TSHRENPP2CA1
SCHEMBL11322 0.78 MAOB (0.57) ALDH1A1TDP1TSHRENPP2CA1
SCHEMBL23051 0.78 ENPP2 (0.48) ENPP2CA1CA2TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507262-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2009-03-24 US claimed
EP-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP claimed
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US claimed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 WO claimed
WO-2025108234-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦药物研究院有限公司 2025-05-30 WO disclosed
CN-119504808-A Compound, preparation method and application thereof 四川科伦药物研究院有限公司 2025-02-25 CN disclosed
CN-118515699-A Hirsutine alkaloid boric acid derivative and preparation method and application thereof 中国海洋大学 2024-08-20 CN disclosed
CN-115403568-B Quinazoline Aurora A covalent inhibitor and preparation method and application thereof 中山大学 2023-09-29 CN disclosed
CN-115403568-A Quinazoline Aurora A covalent inhibitor and preparation method and application thereof 中山大学 2022-11-29 CN disclosed
CN-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 CN disclosed
US-10294227-B2 Compounds UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2019-05-21 US disclosed
US-10196406-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters EUTICALS S.P.A. (IT) 2019-02-05 US disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US disclosed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 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 (6 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP ALDH1A1 1225/4885CYP3A4 377/4885TDP1 126/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR ALDH1A1 3243/4885CYP3A4 4605/4885TDP1 2613/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 ALDH1A1 2176/4885CYP3A4 84/4885TDP1 4650/4885
US-10196406-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters AADAT, BCAT2, BCAT1 ALDH1A1 1425/4885CYP3A4 108/4885TDP1 4069/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA ALDH1A1 4026/4885CYP3A4 1493/4885TDP1 1813/4885
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions KRT18, AKR7A2, AKR1C4 ALDH1A1 205/4885CYP3A4 2154/4885TDP1 1995/4885

“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.