SCHEMBL304390

SCHEMBL304390

[CH2]OC(=O)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
POLB P06746 1/20 0.50
HSD11B1 P28845 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 3/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3635077 0.97
SCHEMBL8646259 0.78 ALDH1A1 (0.45) ALDH1A1POLBHSD11B1SMN1; SMN2MEN1
SCHEMBL30443406 0.78 ALDH1A1 (0.54) ALDH1A1POLBHSD11B1SMN1; SMN2MEN1
SCHEMBL25352240 0.76 ALDH1A1 (0.52) ALDH1A1POLBHSD11B1SMN1; SMN2MEN1
SCHEMBL8742925 0.75 FAAH (0.38) ALDH1A1SMN1; SMN2KMT2AMAPTHPGD
SCHEMBL208811 0.75 TSHR (0.55) POLBSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL8743012 0.75 CA2 (0.48) POLBHSD11B1HPGDCA2CHKA
SCHEMBL303849 0.75 CYP1A2 (0.52) ALDH1A1POLBHSD11B1SMN1; SMN2MAPT
SCHEMBL22442185 0.75 ALDH1A1 (0.42) ALDH1A1POLBHSD11B1SMN1; SMN2MEN1
SCHEMBL2461319 0.74 ALDH1A1 (0.50) ALDH1A1POLBHSD11B1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350306-A1 RELEASE OF ODORIFEROUS SUBSTANCES FROM MICROCAPSULES Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3233821-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES Henkel AG & Co. KGaA (DE) 2017-10-25 EP claimed
WO-2017045893-A1 RELEASE OF ODORIFEROUS SUBSTANCES FROM MICROCAPSULES HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2016096540-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2016-06-23 WO claimed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP claimed
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP claimed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US claimed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP claimed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
WO-2003091214-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
US-5563129-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US claimed
US-5436359-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-07-25 US claimed
US-5354913-A Chemical intermediates for drugs or drugs as thromboxane, prostaglandin antagonist, lipoxygenase enzyme inhibitor, antioxidants TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US claimed
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US claimed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP claimed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP 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 (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-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ALDH1A1 339/4885POLB 1060/4885HSD11B1 675/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ALDH1A1 339/4885POLB 1060/4885HSD11B1 675/4885

“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.