SCHEMBL104725

SCHEMBL104725

CC(C)Oc1ccccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ADRA2B P18089 2/20 0.56
PTGS1 P23219 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
IRAK4 Q9NWZ3 2/20 0.52
TLR8 Q9NR97 1/20 0.47
MCHR1 Q99705 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL30223435 1.00 ALDH1A1 (0.56) ALDH1A1ADRA2BPTGS1TDP1IRAK4
Hydrochloric Acid SCHEMBL6118678 0.98 ALDH1A1 (0.54) ALDH1A1ADRA2BPTGS1TDP1IRAK4
Aniline SCHEMBL22169176 0.92 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1IRAK4
SCHEMBL1341208 0.87 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1IRAK4
SCHEMBL872064 0.86 ALDH1A1 (0.56) ALDH1A1ADRA2BPTGS1TDP1IRAK4
SCHEMBL20522392 0.83 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1IRAK4
SCHEMBL10358897 0.82 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1IRAK4
SCHEMBL2841640 0.82 MCHR1 (0.49) ALDH1A1ADRA2BPTGS1TDP1IRAK4
SCHEMBL1369853 0.82 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1IRAK4
SCHEMBL3426863 0.82 ALDH1A1 (0.58) ALDH1A1ADRA2BPTGS1TDP1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116073068-A Lithium ion battery composite diaphragm containing MOF functional coating and preparation method thereof 中国科学院理化技术研究所 2023-05-05 CN claimed
CN-110961151-A Ruthenium-copper bimetallic catalyst, preparation method and application thereof 扬州大学 2020-04-07 CN claimed
WO-2009143405-A2 SYNTHESIS OF GRAPHENE SHEETS AND NANOPARTICLE COMPOSITES COMPRISING SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-11-26 WO claimed
US-20080064778-A1 Process for Producing Rigid Polyurethane Foam TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 2008-03-13 US claimed
EP-1806374-A1 PROCESS FOR PRODUCING RIGID POLYURETHANE FOAM TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-11 EP claimed
JP-58096069-A None JP disclosed
JP-63227547-A None JP disclosed
JP-55098143-A None JP disclosed
EP-4735114-A1 SUBSTITUTED THIENO [3,2-B]PYRIDINES AS INHIBITORS OF PROTEIN KINASES Masarykova Univerzita (CZ) 2026-05-06 EP disclosed
US-12582654-B2 Cyano-substituted pyridine and cyano-substituted pyrimidine compound and preparation method therefor and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2026-03-24 US disclosed
EP-4083021-B1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2025-07-02 EP disclosed
WO-2025100475-A1 COMPOSITION FOR IMAGE RECORDING AND METHOD FOR PRODUCING SAME キヤノン株式会社 2025-05-15 WO disclosed
EP-0144730-B1 2-ANILINO-1,6-DIHYDRO-6-OXO-5-PYRIMIDINECARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND ANTIALLERGIC AGENT CONTAINING THE SAME MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1987-07-08 EP disclosed
EP-0144730-A1 2-Anilino-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic acid derivatives, processes for the preparation thereof, and antiallergic agent containing the same MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1985-06-19 EP disclosed
US-4423247-A AMINOALKYLATION, NONCATALYTIC REACTION BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
JP-S5896069-A 2-PYRIDINECARBOXYLIC ACID ANILIDE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE CONTAINING THE SAME ISHIHARA SANGYO KAISHA LTD 1983-06-07 JP disclosed
JP-S5598143-A PRODUCTION OF AMINOPHENYL ISOPROPYL ETHER IHARA CHEM IND CO LTD 1980-07-25 JP disclosed
US-4176138-A HYDROGENATION OF NITROBENZENE IN AN ACIDIC REACTION MEDIUM MALLINCKRODT, INC. (US) 1979-11-27 US disclosed
US-4176138-A HYDROGENATION OF NITROBENZENE IN AN ACIDIC REACTION MEDIUM MALLINCKRODT, INC. (US) 1979-11-27 US disclosed
US-4067903-A Manufacture of arylamines BASF AKTIENGESELLSCHAFT (DT) 1978-01-10 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 (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-12582654-B2 Cyano-substituted pyridine and cyano-substituted pyrimidine compound and preparation method therefor and application thereof FGFR4, FGFR3, FGFR1 ALDH1A1 2545/4885ADRA2B 3782/4885PTGS1 3353/4885

“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.