SCHEMBL6256644

SCHEMBL6256644

[CH2]CC#CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GRM5 P41594 1/20 0.43
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 2/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
TRPA1 O75762 1/20 0.38
CYP2E1 P05181 1/20 0.38

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
SCHEMBL9303814 0.88 ALDH1A1 (0.52) FFAR1FFAR4GRM5KCNH2ALDH1A1
SCHEMBL10892521 0.85 MAOA (0.47) MAOAMAOBMIFSIGMAR1
SCHEMBL10894556 0.84 SIGMAR1 (0.47) MAOAMAOBMIFSIGMAR1
SCHEMBL10892181 0.84 SIGMAR1 (0.47) MAOAMAOBMIFSIGMAR1
SCHEMBL10372710 0.83 KCNH2 (0.44) FFAR1FFAR4GRM5KCNH2ALDH1A1
SCHEMBL2095505 0.79 FFAR1 (0.44) FFAR1FFAR4GRM5KCNH2ALDH1A1
SCHEMBL5966248 0.79 GRM5 (0.50) GRM5KCNH2HTR2ASMN1; SMN2MAOA
SCHEMBL5700795 0.79 FFAR1 (0.49) FFAR1FFAR4GRM5KCNH2ALDH1A1
SCHEMBL3919310 0.79 GRM5 (0.49) FFAR1FFAR4GRM5KCNH2ALDH1A1
SCHEMBL22731174 0.78 KCNH2 (0.59) FFAR1FFAR4GRM5KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-1572189-A1 METHOD OF LOWERING CRP AND REDUCING SYSTEMIC INFLAMMATION Warner-Lambert Company LLC (US) 2005-09-14 EP disclosed
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation BAKKER-ARKEMA REBECCA (US) 2004-08-26 US disclosed
WO-2004045596-A1 METHOD OF LOWERING CRP AND REDUCING SYSTEMIC INFLAMMATION WARNER-LAMBERT COMPANY LLC (US) 2004-06-03 WO disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
EP-0820428-B1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER LAMBERT CO (US) 2000-05-10 EP disclosed
WO-1996030328-A1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO disclosed
EP-0732942-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-09-25 EP disclosed
WO-1995012417-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1995-05-11 WO disclosed
EP-0532528-A1 DERIVATIVES OF HYDROXY AND ALKOXY PYRIDINES PFIZER INC. (US) 1993-03-24 EP disclosed
WO-1991018881-A1 DERIVATIVES OF HYDROXY AND ALKOXY PYRIDINES PFIZER INC. (US) 1991-12-12 WO disclosed
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed
US-4605645-A ANTITUMOR AGENTS TEIJIN LIMITED (JP) 1986-08-12 US disclosed
EP-0081386-B1 5-FLUORO-2'-DEOXYURIDINE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF TEIJIN LIMITED (JP) 1985-05-29 EP disclosed
EP-0081386-A1 5-Fluoro-2'-deoxyuridine derivatives and a process for the preparation thereof TEIJIN LIMITED (JP) 1983-06-15 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 (3 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX FFAR1 4105/4885FFAR4 4547/4885GRM5 3005/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 FFAR1 2024/4885FFAR4 2420/4885GRM5 845/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 FFAR1 96/4885FFAR4 84/4885GRM5 4216/4885

“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.