SCHEMBL76745

SCHEMBL76745

COc1ccc(N)c(OC)c1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.95
CYP3A4 P08684 3/20 0.95
MEN1 O00255 2/20 0.65
MAPT P10636 2/20 0.65
THRB P10828 2/20 0.65
KMT2A Q03164 2/20 0.65
TDP1 Q9NUW8 3/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
CYP1A1 P04798 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP1B1 Q16678 2/20 0.54
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL29466231 1.00 ALDH1A1 (0.95) ALDH1A1CYP3A4MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL3296264 0.98 ALDH1A1 (1.00) ALDH1A1CYP3A4MEN1MAPTTHRB
Water SCHEMBL28213911 0.98 ALDH1A1 (0.91) ALDH1A1CYP3A4MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL4381317 0.98 ALDH1A1 (1.00) ALDH1A1CYP3A4MEN1MAPTTHRB
Nitrogen SCHEMBL28332729 0.96 ALDH1A1 (0.88) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL272888 0.88 ALDH1A1 (0.76) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL18987437 0.86 ALDH1A1 (0.71) ALDH1A1CYP3A4MEN1MAPTTHRB
Ethanesulfonic Acid Amide SCHEMBL8164340 0.85 ALDH1A1 (0.70) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL30368 0.85 ALDH1A1 (0.70) ALDH1A1CYP3A4MEN1MAPTTHRB
SCHEMBL18988645 0.85 ALDH1A1 (0.70) ALDH1A1CYP3A4MEN1MAPTTHRB

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 1569 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153655-B Novel N-acylurea derivatives and compositions comprising the same for preventing or treating cardiovascular diseases 高丽大学校产学协力团 2022-09-30 CN claimed
CN-109879829-B Synthesis method of trans-4-hydroxy-5-amino-1, 2-oxazinane compounds 常州大学 2022-08-26 CN claimed
US-20220194928-A1 NOVEL N-ACYLUREA DERIVATIVE AND COMPOSITION COMPRISING SAME FOR PREVENTION OR TREATMENT OF CARDIOVASCULAR DISEASE UNIV KOREA RES & BUS FOUND (KR) 2022-06-23 US claimed
EP-3396028-B1 DIRECT ELECTROCHEMICAL SYNTHESIS OF DOPED CONDUCTIVE POLYMERS ON METAL ALLOYS BOEING CO (US) 2022-04-06 EP claimed
CN-113651766-A Isoxazole sulfonamide compound with BRD4 inhibitory activity and preparation method and application thereof 泰州职业技术学院 2021-11-16 CN claimed
CN-109942627-B Preparation method of alpha-aminophosphine oxygen compound 曲阜师范大学 2021-04-20 CN claimed
CN-112630422-A Method for improving signal-to-noise ratio of antibody and fluorescent protein directional coupling label 浙江正熙生物医药有限公司 2021-04-09 CN claimed
CN-108997144-B Method for catalyzing trifluoroethylation of aromatic primary amine by ferriporphyrin 沅江华龙催化科技有限公司 2021-01-15 CN claimed
CN-112023957-A B-P-O group-based catalyst and method for preparing naphthol by using same 青岛科技大学 2020-12-04 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-6107487-A FREE OF WATER-SOLUBILIZING GROUPS; SUITABLE FOR THERMAL DYE TRANSFER AND FOR DYEING AND PRINTING SYNTHETIC MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2000-08-22 US claimed
EP-0674232-B1 Recording sheets XEROX CORP (US) 2000-05-31 EP claimed
US-5968417-A Conducting compositions of matter THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1999-10-19 US claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0648738-B1 Process for the preparation of acetoacetarylamides HOECHST AG (DE) 1997-01-08 EP claimed
US-5523486-A Preparation of acetoacetarylamides HOECHST AG (DE) 1996-06-04 US claimed
US-5415893-A Dispersion of electrically conductive particles in a dispersing medium DSM N.V. (NL) 1995-05-16 US claimed
EP-0648738-A1 Process for the preparation of acetoacetarylamides HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-19 EP claimed
EP-0064445-B1 N-SUBSTITUTED 2,4-DIALKOXYBENZENE SULFON AMIDES CHOAY S.A. (FR) 1984-10-24 EP claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed

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-20220194928-A1 NOVEL N-ACYLUREA DERIVATIVE AND COMPOSITION COMPRISING SAME FOR PREVENTION OR TREATMENT OF CARDIOVASCULAR DISEASE TLN1, TNNI3, PTK2 ALDH1A1 2072/4885CYP3A4 4788/4885MEN1 3731/4885

“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.