SCHEMBL6283017

SCHEMBL6283017

O=C(O)c1cc2c(cc1O)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACMSD Q8TDX5 4/20 0.45
KLKB1 P03952 1/20 0.44
CTSB P07858 1/20 0.44
MMP9 P14780 1/20 0.44
DNMT1 P26358 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
DNMT3L Q9UJW3 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43

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
SCHEMBL23090388 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL21682098 0.96 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL818480 0.86 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL819768 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL11316463 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4041645 0.81 HTT (0.47) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL23090413 0.79 KDM4E (0.50) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4260001 0.77 HSD17B10 (0.41) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL3895440 0.77 HTT (0.47) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL4016463 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849705-B2 Bifunctional polyaddition compounds as crosslinkers for polyurethane powder coatings DEGUSSA AG (DE) 2005-02-01 US claimed
US-20030212239-A1 Bifunctional polyaddition compounds as crosslinkers for polyurethane powder coatings DEGUSSA AG (DE) 2003-11-13 US claimed
US-5143809-A Polyesters from bisphenol type diol, dicarboxylic acid and tricarboxylic acid KONICA CORPORATION (JP) 1992-09-01 US claimed
US-9290467-B2 Cyclic amides Hoffmann—La Roche Inc. (US) 2016-03-22 US disclosed
EP-2802591-B1 MACROCYCLIC AMIDES AS PROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2016-03-16 EP disclosed
US-8901337-B2 Metal complexes having dual histone deacetylase inhibitory and DNA-binding activity ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2014-12-02 US disclosed
EP-2802591-A1 MACROCYCLIC AMIDES AS PROTEASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-11-19 EP disclosed
US-20130196965-A1 CYCLIC AMIDES HOFFMANN-LA ROCHE INC. (US) 2013-08-01 US disclosed
WO-2013104613-A1 MACROCYCLIC AMIDES AS PROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20120190874-A1 METAL COMPLEXES HAVING DUAL HISTONE DEACETYLASE INHIBITORY AND DNA-BINDING ACTIVITY ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-07-26 US disclosed
US-6849705-B2 Bifunctional polyaddition compounds as crosslinkers for polyurethane powder coatings DEGUSSA AG (DE) 2005-02-01 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-4000130-A INDOLE DYES, POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-4000141-A SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3992405-A ESPECIALLY FOR DYEING POLYACRYLIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed
US-3971807-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3959310-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US 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-20130196965-A1 CYCLIC AMIDES CCND2, CCKBR, CCNB1 ALDH1A1 565/4885KDM4E 2983/4885HSD17B10 1790/4885
US-20120190874-A1 METAL COMPLEXES HAVING DUAL HISTONE DEACETYLASE INHIBITORY AND DNA-BINDING ACTIVITY HDAC1, HDAC9, HDAC2 ALDH1A1 3911/4885KDM4E 255/4885HSD17B10 1801/4885

“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.