SCHEMBL6041286

SCHEMBL6041286

CS(=O)(=O)OCCCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MMP9 P14780 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.50
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL23014971 1.00 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8435356 1.00 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2658522 0.98 KDM4E (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10390508 0.96 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9574195 0.95 TDP1 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL491533 0.93 POLB (0.53) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10390178 0.88 TDP1 (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8889394 0.87 MGLL (0.64) TDP1L3MBTL1
SCHEMBL3438747 0.86 POLB (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5757576 0.85 MGLL (0.61) TDP1L3MBTL1

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
CN-111170923-A DL-tryptophan compounds, preparation method and application thereof 上海市伤骨科研究所 2020-05-19 CN disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP disclosed
CN-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
EP-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
US-4920221-A CENTRAL NERVOUS SYSTEM ACTIVE AGENTS PFIZER INC. (US) 1990-04-24 US disclosed
EP-0090516-B1 SUBSTITUTED HEXAHYDROPYRROLO(1,2-A)-QUINOLINE, HEXAHYDRO-1H-PYRIDO(1,2-A)-QUINOLINE, HEXAHYDROBENZO(3)INDENE AND OCTAHYDROPHENANTHRENE CNS AGENTS PFIZER INC. (US) 1988-07-06 EP disclosed
US-4642373-A Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents PFIZER INC. (US) 1987-02-10 US disclosed
EP-0090526-B1 SUBSTITUTED DODECAHYDROTRIPHENYLENES, DECAHYDRO-1H-CYCLOPENTA(1)PHENANTHRENES, DECAHYDRO-1H-PYRIDO(1,2-F)PHENANTHRIDINES AND DECAHYDROPYRROLO(1,2-F)PHENANTHRIDINES AS CNS AGENTS PFIZER INC. (US) 1986-11-26 EP disclosed
US-4576964-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1986-03-18 US disclosed
US-4476131-A ANTIEMETICS, ANALGESICS PFIZER INC. (US) 1984-10-09 US disclosed
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 US disclosed
EP-0090526-A1 Substituted dodecahydrotriphenylenes, decahydro-1H-cyclopenta(1)phenanthrenes, decahydro-1H-pyrido(1,2-f)phenanthridines and decahydropyrrolo(1,2-f)phenanthridines as CNS agents PFIZER INC. (US) 1983-10-05 EP disclosed
EP-0090516-A1 Substituted hexahydropyrrolo(1,2-a)-quinoline, hexahydro-1H-pyrido(1,2-a)-quinoline, hexahydrobenzo(3)indene and octahydrophenanthrene CNS agents PFIZER INC. (US) 1983-10-05 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 KDM4E 2501/4885USP2 1490/4885ALDH1A1 2504/4885

“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.