SCHEMBL5716842

SCHEMBL5716842

CC(C)C(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ GAA P10253 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ DBH P09172 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ HTT P42858 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ RAPGEF3 O95398 1/20 0.46
▸ RAPGEF4 Q8WZA2 1/20 0.46
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 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
SCHEMBL9667044 0.96 ALDH1A1 (0.61) ALDH1A1GAAKDM4EDBHRECQL
SCHEMBL19919810 0.92 KDM4E (0.55) ALDH1A1GAAKDM4EDBHRECQL
SCHEMBL22013187 0.86 KDM4E (0.49) ALDH1A1GAAKDM4EDBHRECQL
SCHEMBL20438663 0.86 KDM4E (0.49) ALDH1A1GAAKDM4EDBHRECQL
SCHEMBL4066466 0.84 KDM4E (0.47) ALDH1A1GAAKDM4EDBHRECQL
SCHEMBL13676343 0.84 ALDH1A1 (0.44) ALDH1A1GAAKDM4EDBHRECQL
SCHEMBL13676336 0.82 KDM4E (0.45) ALDH1A1GAAKDM4EDBHRECQL
SCHEMBL7699711 0.80 ALDH1A1 (0.51) ALDH1A1GAAKMT2AMEN1HTT
SCHEMBL13676320 0.79 HDAC6 (0.46) ALDH1A1GAAKDM4EDBHRECQL
SCHEMBL20932779 0.79 ALDH1A1 (0.59) ALDH1A1GAAKDM4EKMT2AMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014119617-A1 AMIDINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2014-08-07 — — WO disclosed
US-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 — — US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 — — US disclosed
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 — — US disclosed
EP-1337501-B1 PROCESS FOR PREPARING 1-INDANONES AKZO NOBEL NV (NL) 2006-12-20 — — EP disclosed
EP-1337501-A1 PROCESS FOR PREPARING 1-INDANONES Akzo Nobel N.V. (NL) 2003-08-27 — — EP disclosed
US-6548710-B2 Reacting ketone compound with chlorinating agent, followed by reaction with a friedel-crafts catalyst to produce 1-indanone compound AKZO NOBEL N.V. (NL) 2003-04-15 — — US disclosed
US-20020077507-A1 Process for preparing 1-indanones AKZO NOBEL N.V. (NL) 2002-06-20 — — US disclosed
WO-2002036537-A1 PROCESS FOR PREPARING 1-INDANONES AKZO NOBEL N.V. (NL) 2002-05-10 — — WO disclosed
EP-0273647-B1 COUMARAN DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-03-11 — — EP disclosed
US-4857516-A Coumaran derivatives and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-15 — — US disclosed
EP-0273647-A1 Coumaran derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-07-06 — — 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 (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-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 ALDH1A1 408/4885GAA 1012/4885KDM4E 2993/4885
US-20020077507-A1 Process for preparing 1-indanones CYP1A1, CYP2F1, CYP1B1 ALDH1A1 240/4885GAA 4253/4885KDM4E 1077/4885

“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.

Send feedback