SCHEMBL2369495

SCHEMBL2369495

CC(=O)c1ccc(C#N)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 11/20 0.51
AR P10275 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2A6 P11509 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
S1PR1 P21453 4/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL30737737 1.00 S1PR3 (0.51) S1PR3ARCYP11B1CYP11B2MEN1
SCHEMBL996704 0.85 MRGPRX4 (0.56) S1PR3MEN1KMT2AMRGPRX4TSHR
SCHEMBL7662707 0.85 VNN1 (0.45) S1PR3CYP11B1CYP11B2MEN1APAF1
SCHEMBL16961084 0.84 S1PR3 (0.47) S1PR3ARMRGPRX4S1PR1S1PR2
SCHEMBL2767509 0.83 S1PR3 (0.50) S1PR3ARCYP11B2MRGPRX4S1PR1
SCHEMBL1275282 0.83 S1PR3 (0.54) S1PR3S1PR1S1PR2S1PR4
SCHEMBL2620548 0.81 CYP2A6 (0.43) S1PR3KMT2ACYP2A6ALDH1A1
SCHEMBL10412463 0.81 CYP2A6 (0.43) S1PR3KMT2ACYP2A6TSHRALDH1A1
SCHEMBL18724341 0.81 S1PR3 (0.44) S1PR3ARMRGPRX4S1PR1S1PR2
SCHEMBL6970906 0.81 PKM (0.46) CYP11B1CYP11B2MEN1APAF1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019281-A Preparation method of 4-acetyl-2-methylbenzonitrile 黑龙江立科新材料有限公司 2024-11-26 CN claimed
CN-113512007-A Synthesis of flurarana 江苏君若药业有限公司 2021-10-19 CN claimed
CN-109553528-A A kind of synthetic method of 2- methyl -4- acetylbenzoic acid methyl esters 荆门医药工业技术研究院 2019-04-02 CN claimed
CN-120843616-A Biocatalysis method for synthesizing 4-acetyl-2-methylbenzoic acid based on 4-acetyl-2-methylbenzonitrile 常州大学 2025-10-28 CN disclosed
CN-120843616-A Biocatalysis method for synthesizing 4-acetyl-2-methylbenzoic acid based on 4-acetyl-2-methylbenzonitrile 常州大学 2025-10-28 CN disclosed
CN-120383525-A Preparation method of 2-methyl-4-acetyl benzoic acid 潍坊市海欣药业有限公司 2025-07-29 CN disclosed
CN-119751370-A Preparation method of fluororalrana 河北威远药业有限公司 2025-04-04 CN disclosed
US-20250091998-A1 A PROCESS FOR THE PREPARATION OF CARBAMOYL BENZAMIDE PHENYL ISOXAZOLINE CLASS DRUG/S AND ITS INTERMEDIATES ZENFOLD SUSTAINABLE TECHNOLOGIES PRIVATE LIMITED (IN) 2025-03-20 US disclosed
CN-119019281-A Preparation method of 4-acetyl-2-methylbenzonitrile 黑龙江立科新材料有限公司 2024-11-26 CN disclosed
CN-119019281-A Preparation method of 4-acetyl-2-methylbenzonitrile 黑龙江立科新材料有限公司 2024-11-26 CN disclosed
CN-119019281-A Preparation method of 4-acetyl-2-methylbenzonitrile 黑龙江立科新材料有限公司 2024-11-26 CN disclosed
EP-2960333-B1 COMPOSITION FOR INHIBITING GENE EXPRESSION AND USES THEREOF IDERA PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-2539335-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-21 EP disclosed
EP-2539335-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-21 EP disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
EP-2539335-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES Syngenta Participations AG (CH) 2013-01-02 EP disclosed
WO-2011104089-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 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 (2 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-20250091998-A1 A PROCESS FOR THE PREPARATION OF CARBAMOYL BENZAMIDE PHENYL ISOXAZOLINE CLASS DRUG/S AND ITS INTERMEDIATES CYP3A7, CYP1A2, CYP1B1 S1PR3 2978/4885AR 331/4885CYP11B1 226/4885
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES CYP1A2, CHRM1, CYP1A1 S1PR3 2497/4885AR 1759/4885CYP11B1 62/4885

“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.