SCHEMBL5230

SCHEMBL5230

[CH2]COCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.37
SPHK1 Q9NYA1 4/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.36
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
NAAA Q02083 1/20 0.32
PARP15 Q460N3 1/20 0.32

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
SCHEMBL5386 1.00 SPHK2 (0.37) SPHK2SPHK1CTSLCTSBCTSK
SCHEMBL4978 1.00 SPHK2 (0.37) SPHK2SPHK1CTSLCTSBCTSK
SCHEMBL446801 0.97
SCHEMBL5168 0.92
SCHEMBL127921 0.86
SCHEMBL23039739 0.83 CTSL (0.41) SPHK2SPHK1CTSLCTSBCTSK
SCHEMBL16239892 0.83 CTSL (0.41) SPHK2SPHK1CTSLCTSBCTSK
SCHEMBL869115 0.83 CTSL (0.41) SPHK2SPHK1CTSLCTSBCTSK
SCHEMBL379081 0.83 CTSL (0.41) SPHK2SPHK1CTSLCTSBCTSK
SCHEMBL29101108 0.83 CTSL (0.41) SPHK2SPHK1CTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114534-A REACTING A KETONE DERIVATIVE OF CARBAMOYL SUBSTITUTED HETEROCYCLE WITH PHOSPHORANE, FOLLOWED BY ACIDIFICATION TO FORM AN ANTICOAGULANT ELI LILLY AND COMPANY (US) 2000-09-05 US claimed
US-6075147-A OMEGA-PHENYL-OMEGA-(3-PYRIDYL)-OMEGA-ALKENOIC ACID DERIVATIVES BEARING A CARBAMOYL SUBSTITUTED OXAZOLYL OR OXAZOLINYL GROUP ON THE PHENYL RING IS USEFUL FOR THROMBOXANE RECEPTOR ANTAGONSIM OR THROMBOXANE SYNTHASE INHIBITOR ELI LILLY AND COMPANY (US) 2000-06-13 US claimed
US-6031095-A Intermediates in the preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 2000-02-29 US claimed
US-5990308-A Intermediates in the preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1999-11-23 US claimed
US-5849766-A Carbamoyl substituted heterocycles ELI LILLY AND COMPANY (US) 1998-12-15 US claimed
US-5849922-A Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-12-15 US claimed
EP-0816361-A2 Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-01-07 EP claimed
EP-0811621-A2 Carbamoyl substituted oxazoles as thromboxane receptor antagonists ELI LILLY AND COMPANY (US) 1997-12-10 EP claimed
EP-0333938-B1 2-HYDROXY-3-ARYLOXY-PROPYLAMINE DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ZAMBON GROUP S.p.A. (IT) 1993-04-14 EP claimed
US-11932723-B2 High-purity 3,4-epoxycyclohexylmethyl methacrylate DAICEL CORPORATION (JP) 2024-03-19 US disclosed
CN-117279892-A Quaternary amine salt compound and preparation method and application thereof 宜昌人福药业有限责任公司 2023-12-22 CN disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
CN-113227062-A High purity 3, 4-epoxycyclohexylmethyl methacrylate 株式会社大赛璐 2021-08-06 CN disclosed
EP-3590940-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2021-06-09 EP disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0816361-A2 Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0811621-A2 Carbamoyl substituted oxazoles as thromboxane receptor antagonists ELI LILLY AND COMPANY (US) 1997-12-10 EP disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP 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-11932723-B2 High-purity 3,4-epoxycyclohexylmethyl methacrylate MEP1A, MEP1B, FTO SPHK2 4733/4885SPHK1 4773/4885CTSL 4468/4885

“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.