SCHEMBL3417433

SCHEMBL3417433

Cc1ccc(C)c2c1COC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.49
MAOB P27338 4/20 0.49
AKT1 P31749 2/20 0.46
NUAK1 O60285 1/20 0.46
IGF1R P08069 1/20 0.46
MET P08581 1/20 0.46
PIM1 P11309 1/20 0.46
SRC P12931 1/20 0.46
AXL P30530 1/20 0.46
KDR P35968 1/20 0.46
NEK2 P51955 1/20 0.46
PLK1 P53350 1/20 0.46
PTK2 Q05397 1/20 0.46
PKN1 Q16512 1/20 0.46
AURKB Q96GD4 1/20 0.46
NEK6 Q9HC98 1/20 0.46
ALK Q9UM73 1/20 0.46
KCNJ1 P48048 2/20 0.41
AKT2 P31751 1/20 0.39
AKT3 Q9Y243 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
SCHEMBL12553039 0.84 NUAK1 (0.41) MAOAMAOBAKT1NUAK1IGF1R
SCHEMBL12553377 0.84 AKT1 (0.41) MAOAMAOBAKT1NUAK1IGF1R
SCHEMBL9606822 0.81 MAOA (0.41) MAOAMAOBAKT1NUAK1IGF1R
SCHEMBL14849268 0.81 NUAK1 (0.39) MAOAMAOBAKT1NUAK1IGF1R
SCHEMBL12553313 0.80 ALOX5 (0.48) MAOAMAOBAKT1NUAK1IGF1R
SCHEMBL22472340 0.79 SMN1; SMN2 (0.48) MAOAMAOBAKT1NUAK1IGF1R
SCHEMBL18704855 0.77 KCNJ1 (0.38) MAOAMAOBAKT1NUAK1IGF1R
SCHEMBL12553376 0.76 CYP1A1 (0.50) MAOAMAOBAKT1NUAK1IGF1R
SCHEMBL12553375 0.75 CYP1A1 (0.35) MAOAMAOBAKT1NUAK1IGF1R
SCHEMBL12553493 0.74 IMPDH1 (0.39) MAOAMAOBAKT1NUAK1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539316-B1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2019-10-23 EP disclosed
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US disclosed
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-06-14 US disclosed
US-9944663-B2 Process for preparing substituted pentacenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-04-17 US disclosed
US-9944663-B2 Process for preparing substituted pentacenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-04-17 US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-06-08 US disclosed
US-9611260-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
US-9611260-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2011-07-14 US disclosed
US-20100127220-A1 Process for Preparing Substituted Pentacenes MERCK PATENT GMBH (DE) 2010-05-27 US disclosed
US-20100127220-A1 Process for Preparing Substituted Pentacenes MERCK PATENT GMBH (DE) 2010-05-27 US disclosed
US-20100127220-A1 Process for Preparing Substituted Pentacenes MERCK PATENT GMBH (DE) 2010-05-27 US disclosed
WO-2010046240-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2010-04-29 WO disclosed
EP-2134725-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES Merck Patent GmbH (DE) 2009-12-23 EP disclosed
WO-2009150074-A1 SULFONIUM DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS BASF SE (DE) 2009-12-17 WO disclosed
WO-2008128618-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES MERCK PATENT GMBH (DE) 2008-10-30 WO disclosed
WO-2008128618-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES MERCK PATENT GMBH (DE) 2008-10-30 WO disclosed
WO-2007147782-A2 OXIME SULFONATES AND THE USE THEROF AS LATENT ACIDS CIBA HOLDING INC. (CH) 2007-12-27 WO 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 (6 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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 MAOA 1184/4885MAOB 987/4885AKT1 3375/4885
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 MAOA 3312/4885MAOB 2010/4885AKT1 173/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 MAOA 1184/4885MAOB 987/4885AKT1 3375/4885
US-20100127220-A1 Process for Preparing Substituted Pentacenes FES, PFAS, SLC46A1 MAOA 2348/4885MAOB 3180/4885AKT1 2894/4885
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 MAOA 3312/4885MAOB 2010/4885AKT1 173/4885
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS NR2E3, HCAR3, HRH4 MAOA 3634/4885MAOB 3321/4885AKT1 3878/4885

“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.