SCHEMBL1924482

SCHEMBL1924482

CC(=O)c1ccc(F)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
CYP2A6 P11509 1/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KIF11 P52732 1/20 0.43
HSD17B1 P14061 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
PRKCI P41743 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
SCHEMBL29602493 1.00 PIM1 (0.47) PIM1CYP2A6MAOBMAOACES2
SCHEMBL4355959 0.84 SMN1; SMN2 (0.53) PIM1MAOBMAOACES2CES1
SCHEMBL1926473 0.83 HDAC1 (0.63) CYP2A6CES2CES1HDAC1HDAC6
SCHEMBL30881474 0.83 HDAC1 (0.63) CYP2A6CES2CES1HDAC1HDAC6
SCHEMBL385343 0.83 LMNA (0.53) PIM1MAOBMAOACES2CES1
SCHEMBL75801 0.82 CES2 (0.67) CYP2A6MAOBMAOACES2CES1
SCHEMBL29669896 0.82 CES2 (0.67) CYP2A6MAOBMAOACES2CES1
SCHEMBL16952769 0.82 PIM1 (0.42) PIM1MAOBMAOACES2CES1
SCHEMBL4113200 0.81 MAPT (0.61) MAPTRAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL1478519 0.81 LMNA (0.52) PIM1MAOBMAOACES2CES1

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 140 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-116041212-A Preparation and application of difluoro olefin ether and oxime ether derivatives 安徽农业大学 2023-05-02 CN claimed
CN-116041212-B Preparation and application of difluoro olefin oxime ether derivative 安徽农业大学 2025-06-13 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
EP-3227270-B1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RES LAB (KR) 2024-11-13 EP disclosed
CN-118324614-A Synthesis method of 2-methyl-4-formaldoxime benzoic acid or derivative thereof 珠海保税区丽珠合成制药有限公司 2024-07-12 CN disclosed
WO-2024006974-A2 ANTIMALARIAL COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-01-04 WO disclosed
WO-2024006971-A2 ANTIMALARIAL COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-01-04 WO disclosed
EP-4227307-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS Genzyme Corporation (US) 2023-08-16 EP disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
EP-1431293-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2004-06-23 EP disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 US disclosed
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2003-06-26 US disclosed
EP-0191496-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARING THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-31 EP disclosed
CN-1004204-B Herbicide containing triazine derivative as active ingredient 出光兴产株式会社 1989-05-17 CN disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 US disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 EP disclosed
CN-86100884-A Process for preparing triazine derivatives and herbicides containing the derivatives as active ingredient 1986-08-13 CN 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 (4 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-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PIM1 338/4885CYP2A6 589/4885MAOB 2633/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PIM1 326/4885CYP2A6 530/4885MAOB 2527/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 PIM1 4258/4885CYP2A6 1757/4885MAOB 313/4885
US-20250091998-A1 A PROCESS FOR THE PREPARATION OF CARBAMOYL BENZAMIDE PHENYL ISOXAZOLINE CLASS DRUG/S AND ITS INTERMEDIATES CYP3A7, CYP1A2, CYP1B1 PIM1 1869/4885CYP2A6 56/4885MAOB 159/4885

“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.