SCHEMBL94816

SCHEMBL94816

[O]CCC=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.54
SIGMAR1 Q99720 2/20 0.48
IDO1 P14902 2/20 0.48
MAOB P27338 2/20 0.46
HTR2A P28223 3/20 0.45
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL94815 1.00 PAM (0.54) PAMSIGMAR1IDO1MAOBHTR2A
SCHEMBL95441 0.86 PAM (0.50) PAMSIGMAR1IDO1MAOBHTR2A
SCHEMBL95442 0.86 PAM (0.50) PAMSIGMAR1IDO1MAOBHTR2A
SCHEMBL7939387 0.85 IDO1 (0.56) PAMSIGMAR1IDO1MAOBHTR2A
SCHEMBL10430031 0.85 IDO1 (0.56) PAMSIGMAR1IDO1MAOBHTR2A
SCHEMBL7568412 0.85 IDO1 (0.56) PAMSIGMAR1IDO1MAOBHTR2A
SCHEMBL95781 0.85 PAM (0.48) PAMSIGMAR1IDO1MAOBHTR2A
SCHEMBL95782 0.85 PAM (0.48) PAMSIGMAR1IDO1MAOBHTR2A
SCHEMBL2399949 0.84 PAM (0.52) PAMSIGMAR1IDO1MAOBHTR2A
SCHEMBL97315 0.84 PAM (0.52) PAMSIGMAR1IDO1MAOBHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-20220089553-A1 HIGH-PURITY THERMOSTABLE CRYSTAL FORM OF SUBSTITUTED 3-ISOXAZOLIDINONE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Zhejiang Zhuji United Chemicals Co., Ltd. (CN) 2022-03-24 US disclosed
EP-3971170-A1 HIGH-PURITY THERMOSTABLE CRYSTAL FORM OF SUBSTITUTED 3-ISOXAZOLIDINONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Zhejiang Zhuji United Chemicals Co., Ltd (CN) 2022-03-23 EP disclosed
CN-109970672-B Crystal form of high-purity thermostable substituted 3-isoxazolidinone compound, preparation method and application 浙江省诸暨合力化学对外贸易有限公司 2021-07-13 CN disclosed
CN-109776442-B Method for preparing high-purity 3-isoxazolidinone compound crystal, crystal form and application thereof 浙江省诸暨合力化学对外贸易有限公司 2021-07-06 CN disclosed
WO-2020227875-A1 HIGH-PURITY THERMOSTABLE CRYSTAL FORM OF SUBSTITUTED 3-ISOXAZOLIDINONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 浙江省诸暨合力化学对外贸易有限公司 2020-11-19 WO disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
CN-109970672-A A kind of high-purity thermostabilization replaces the crystal form and preparation method and application of 3- isoxazole alkanone compound 浙江省诸暨合力化学对外贸易有限公司 2019-07-05 CN disclosed
CN-109776442-A A kind of method preparing high-purity 3- isoxazole alkanone compound crystal and its crystal form and application 浙江省诸暨合力化学对外贸易有限公司 2019-05-21 CN disclosed
EP-3079685-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2016-10-19 EP disclosed
EP-0998468-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-2000023413-A1 METHOD FOR DRYING PHENOXYMETHYLBENZOIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2000-04-27 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 PAM 2761/4885SIGMAR1 4091/4885IDO1 2430/4885
US-20220089553-A1 HIGH-PURITY THERMOSTABLE CRYSTAL FORM OF SUBSTITUTED 3-ISOXAZOLIDINONE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF CYP51A1, WEE2, WEE1 PAM 3650/4885SIGMAR1 3354/4885IDO1 3942/4885

“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.