SCHEMBL1243967

SCHEMBL1243967

COCOc1ccccc1C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
HPGD P15428 1/20 0.68
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
PTGDR2 Q9Y5Y4 1/20 0.56
LMNA P02545 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 5/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TLR2 O60603 1/20 0.46
ERN1 O75460 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
SRC P12931 1/20 0.46
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL1276592 0.88 ALDH1A1 (0.79) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL30972130 0.88 ALDH1A1 (0.79) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL3825898 0.86 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL1665307 0.85 ALDH1A1 (0.81) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL3235018 0.84 ALDH1A1 (0.62) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL22804095 0.84 TLR2 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL3214106 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL2810260 0.83 ALDH1A1 (0.71) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL23633015 0.82 ALDH1A1 (0.46) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL13035548 0.82 ALDH1A1 (0.46) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903570-A Preparation method of 7,3 (2 ', 4') -trihydroxy-5-methoxy-6-isopentenyl coumarin 美迪西普瑞生物医药科技(上海)有限公司 2023-10-20 CN claimed
CN-116730808-A Preparation method of cefvicin derivative intermediate 重庆汉佩生物科技有限公司 2023-09-12 CN claimed
CN-116731039-A Process for the preparation of cephalosporin derivatives 重庆汉佩生物科技有限公司 2023-09-12 CN claimed
CN-116514759-A Synthesis method of dihydromyricetin 华中农业大学 2023-08-01 CN claimed
CN-116270576-A Application of polysubstituted benzene compounds in preparation of medicines for treating cognitive impairment diseases, structure and preparation method 中国医学科学院医药生物技术研究所 2023-06-23 CN claimed
CN-113620919-A Mechanical ball-milling auxiliary synthesis method of 2-amino-3-cyano-4H-pyran compounds 浙江工业大学 2021-11-09 CN claimed
WO-2025202022-A9 ANTICANCER MACROCYCLIC QUINAZOLINE-BASED INHIBITORS OF THE INERACTION BETWEEN RAS AND SOS1 BAYER AKTIENGESELLSCHAFT (DE) 2025-12-26 WO disclosed
WO-2025202022-A1 ANTICANCER MACROCYCLIC QUINAZOLINE-BASED INHIBITORS OF THE INERACTION BETWEEN RAS AND SOS1 BAYER AKTIENGESELLSCHAFT (DE) 2025-10-02 WO disclosed
CN-119504685-A Benzopyran flavonoid compound, preparation method and application thereof, and pharmaceutical preparation 南开大学 2025-02-25 CN disclosed
US-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. 2024-05-23 US disclosed
CN-117897145-A Composition for treating or preventing obesity or obesity-related liver diseases comprising verbenone derivatives 韩国新丰制药株式会社 2024-04-16 CN disclosed
CN-115636742-B Recrystallization method 江西亚太科技发展有限公司 2024-04-09 CN disclosed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed
US-4999448-A ALKYLATION WITH PHENYLTHIOMETHYL LITHIUM COMPOUND, CYCLIZATION, INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1991-03-12 US disclosed
EP-0403026-A1 12-Substituted-12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids, herbicidal compositions, and a method of controlling undesirable vegetation DowElanco (US) 1990-12-19 EP disclosed
US-4938790-A Herbicidal 12-substituted 12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1990-07-03 US disclosed
US-4722931-A MUSCLE RELAXANTS LABORATORIOS DELAGRANGE (ES) 1988-02-02 US disclosed
CN-86100669-A The synthetic organic polymers that is used for selective flocculating floatation of titanium and iron ores 1987-08-05 CN disclosed
EP-0158211-A2 1,4-Dihydropyridin derivatives, process for their preparation and their uses as medicaments LABORATORIOS DELAGRANGE S.A. (ES) 1985-10-16 EP disclosed
EP-0034754-A1 2-((3-amino-2-hydroxy-propoxy)-styryl) isoxazoles, process for their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-09-02 EP 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 (1 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-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 3856/4885HPGD 1524/4885HTT 2833/4885

“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.