SCHEMBL88105

SCHEMBL88105

C=CCN(C=O)CCCCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 2/20 0.40
ADH1A P07327 2/20 0.40
ADH4 P08319 2/20 0.40
TSHR P16473 5/20 0.38
ALDH1A1 P00352 1/20 0.36
FAAH O00519 3/20 0.35
DNM1 Q05193 3/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
EPHX1 P07099 1/20 0.31
ADH1B P00325 1/20 0.31
ADH7 P40394 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL11382184 0.98 ADH1C (0.43) ADH1CADH1AADH4TSHRALDH1A1
SCHEMBL9067688 0.98 ADH1C (0.43) ADH1CADH1AADH4TSHRALDH1A1
SCHEMBL11381246 0.94 TSHR (0.37) ADH1CADH1AADH4TSHRALDH1A1
SCHEMBL11374158 0.85
SCHEMBL97181 0.82 ADH1C (0.48) ADH1CADH1AADH4TSHRALDH1A1
SCHEMBL95389 0.80 ADH1C (0.52) ADH1CADH1AADH4TSHRFAAH
SCHEMBL55195 0.80 ADH1C (0.52) ADH1CADH1AADH4TSHRFAAH
SCHEMBL3962903 0.80 ADH1C (0.52) ADH1CADH1AADH4TSHRFAAH
SCHEMBL277587 0.80 ADH1C (0.52) ADH1CADH1AADH4TSHRFAAH
SCHEMBL271668 0.80 ADH1C (0.47) ADH1CADH1AADH4TSHRALDH1A1

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 1474 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611300-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP claimed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US claimed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US claimed
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha CURACYTE DISCOVERY GMBH (DE) 2012-04-19 US claimed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO claimed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US claimed
US-8058285-B2 Phosphodiesterase-4 (PDE-4) inhibitors; for treating bronchial asthma, COPD, rheumatoid arthritis (RA), osteoarthritis, cystic fibrosis, Guillain-Barresyndrome, Crohn's disease, ulcerative colitis, psoriasis, atopic dermatitis, allergic eczemas THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-11-15 US claimed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US claimed
EP-1773840-B1 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINES FOR USE AS INHIBITORS OF PDA-4 AND/OR TNF-ALPHA RELEASE MEDICINES CO LEIPZIG GMBH (DE) 2010-01-20 EP claimed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
WO-1990009369-A1 BENZOTRIAZOLE AND OXANILIDE UV ABSORBER HYDRAZIDES ATOCHEM NORTH AMERICA, INC. (US) 1990-08-23 WO claimed
EP-0281891-A2 Dye builders, their preparation and use BAYER AG (DE) 1988-09-14 EP claimed
EP-0185240-A2 Process for the preparation of N-substituted benz[c,d]indol-2-ones BAYER AG (DE) 1986-06-25 EP claimed
EP-0181852-A1 Substituted 2,6-substituted pyridine compounds Monsanto Company (US) 1986-05-21 EP claimed
EP-0167820-A2 Process for the preparation of optionally substituted benz(c,d)-indol-2-ones (naphtholactames) BAYER AG (DE) 1986-01-15 EP claimed
US-4297440-A CONTAINING A 3-ANILINO-5-PYRAZOLONE MAGENTA COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1981-10-27 US claimed
US-4275200-A CONDENSATION OF CARBAMIC ESTERS WITH X-HALOGEN CARBONYL COMPOUNDS AGFA-GEVAERT, A.G. (DE) 1981-06-23 US claimed
US-4191576-A SULFONYL-SUBSTITUTED PYRROLIDINE, OXAZOLIDINE OR THIAZOLIDINE FUJI PHOTO FILM CO., LTD. (JP) 1980-03-04 US claimed
US-4032346-A 5-OXO-2-PYRAZOLIN-4-YL-AMINE-CARBODITHIOATE-DITHIOCARBONATE FUJI PHOTO FILM CO., LTD. (JA) 1977-06-28 US claimed
US-3980430-A CATIONIC DYE, HALOGENATED HYDROCARBON BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US claimed

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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 ADH1C 2332/4885ADH1A 1033/4885ADH4 1900/4885
US-20120094987-A1 SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha PDE4A, PDE4B, PDE3B ADH1C 714/4885ADH1A 998/4885ADH4 546/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD ADH1C 260/4885ADH1A 444/4885ADH4 220/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 ADH1C 1340/4885ADH1A 386/4885ADH4 431/4885

“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.