SCHEMBL1029593

SCHEMBL1029593

COc1cccc(CO)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
IDO1 P14902 3/20 0.44
CETP P11597 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 1/20 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
SCHEMBL16954472 0.88 ALOX5 (0.45) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL505777 0.87 CA1 (0.50) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL8135903 0.86 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL26046475 0.85 PTGS2 (0.50) IDO1LMNAKDM4EALDH1A1TP53
SCHEMBL27920540 0.85 SLC6A2 (0.40) IDO1PDCD1CD274KDM4EMAPK1
SCHEMBL4981005 0.82 ALDH1A1 (0.48) IDO1CETPKDM4EALDH1A1CYP3A4
SCHEMBL22560177 0.82 PTGS2 (0.55) PDCD1CD274LMNAKDM4EALDH1A1
SCHEMBL6300999 0.82 HSP90AA1 (0.50) CETPKDM4ETP53HPGDL3MBTL1
SCHEMBL6283334 0.81 PTPN1 (0.40) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL12896559 0.81 ALDH1A1 (0.42) PDE4APDE4BPDE4CPDE4DIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426440-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2013-04-23 US disclosed
EP-2246346-B1 Indolylmaleimide derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2012-10-24 EP disclosed
EP-1904482-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2011-01-19 EP disclosed
EP-2246346-A1 Indolylmaleimide derivatives as protein kinase inhibitors Novartis AG (CH) 2010-11-03 EP disclosed
US-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES WAGNER JUERGEN 2010-10-28 US disclosed
US-7781438-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2010-08-24 US disclosed
US-20080318975-A1 Indolylmaleimide Derivatives NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP disclosed
EP-1904482-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2008-04-02 EP disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
EP-0103961-A1 Allyloxy- and allylthio-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1984-03-28 EP disclosed
US-4247658-A POROUS SURFACE LAYER FIBER INDUSTRIES, INC. (US) 1981-01-27 US disclosed
US-4240974-A 1,2,3,4,9,9-HEXAHALO-1,4-DIHYDRO-1,4-METHANO-NAPHTHALENE-5,8 -DISULFONATE LITTLE JULIAN R (US) 1980-12-23 US disclosed
US-4174457-A Carbamate UNIROYAL, INC. (US) 1979-11-13 US disclosed
US-4080375-A SCALE INHIBITORS, CHELATING AGENTS PETROLITE CORPORATION (US) 1978-03-21 US disclosed
US-4080408-A FIRE RETARDANTS UNIROYAL, INC. (US) 1978-03-21 US disclosed
US-4058568-A FIRE RETARDANT UNIROYAL, INC. (US) 1977-11-15 US disclosed
US-4044189-A TEXTILES, RUBBER REINFORCED WITH POLYESTER FIBER INDUSTRIES, INC. (US) 1977-08-23 US disclosed
US-4009200-A FIREPROOFING POLYMERS UNIROYAL, INC. (US) 1977-02-22 US disclosed
US-4005020-A OXYALKYLATED AMINES-FATTY ALCOHOLS-ALKYLPHENOLS, CELLOSOLVE; FOR PETROLEUM SYSTEMS PETROLITE CORPORATION (US) 1977-01-25 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-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES IDO1, INMT, IDO2 PDE4A 3578/4885PDE4B 3236/4885PDE4C 3903/4885
US-20080318975-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH3B PDE4A 3472/4885PDE4B 2723/4885PDE4C 3981/4885

“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.