SCHEMBL10177012

SCHEMBL10177012

Cc1ccc2c(c1)C(=O)CCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.59
MAOB P27338 8/20 0.59
PARP1 P09874 1/20 0.53
PARP10 Q53GL7 1/20 0.53
CYP2A6 P11509 1/20 0.48
METAP1 P53582 2/20 0.46
ACHE P22303 1/20 0.46
PBRM1 Q86U86 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PRKCI P41743 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PABPC1 P11940 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL29673118 0.96 MAOA (0.59) MAOAMAOBPARP1PARP10CYP2A6
SCHEMBL1274936 0.96 MAOA (0.59) MAOAMAOBPARP1PARP10CYP2A6
SCHEMBL354988 0.88 PBRM1 (0.59) MAOAMAOBPARP1PARP10METAP1
SCHEMBL30465799 0.88 PBRM1 (0.59) MAOAMAOBPARP1PARP10METAP1
SCHEMBL5209716 0.85 MAOA (0.57) MAOAMAOBPARP1PARP10CYP2A6
SCHEMBL7916500 0.84 MAOA (0.59) MAOAMAOBPARP10CYP2A6METAP1
SCHEMBL5204318 0.82 MAOA (0.57) MAOAMAOBPARP1PARP10CYP2A6
SCHEMBL17208929 0.82 MAOA (0.50) MAOAMAOBPARP1PARP10CYP2A6
SCHEMBL1027718 0.80 MAOA (0.61) MAOAMAOBPARP10CYP2A6METAP1
SCHEMBL14925847 0.77 METAP1 (0.60) MAOAMAOBPARP1PARP10METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-06-14 US disclosed
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 US disclosed
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-06-08 US disclosed
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-18 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-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 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 (10 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-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 MAOA 3861/4885MAOB 2579/4885PARP1 3106/4885
US-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 MAOA 2342/4885MAOB 1866/4885PARP1 1679/4885
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 MAOA 3312/4885MAOB 2010/4885PARP1 3186/4885
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 MAOA 3861/4885MAOB 2579/4885PARP1 3106/4885
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 MAOA 3828/4885MAOB 3064/4885PARP1 4223/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 MAOA 3861/4885MAOB 2579/4885PARP1 3106/4885
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 MAOA 3861/4885MAOB 2579/4885PARP1 3106/4885
US-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 MAOA 3861/4885MAOB 2579/4885PARP1 3106/4885
US-20170158683-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 MAOA 3312/4885MAOB 2010/4885PARP1 3186/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 MAOA 3861/4885MAOB 2579/4885PARP1 3106/4885

“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.