SCHEMBL560328

SCHEMBL560328

CCOC(OCC)C(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2A6 P11509 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
MAPK10 P53779 2/20 0.45
MAPK8 P45983 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 1/20 0.44
RIOK2 Q9BVS4 2/20 0.44
MC4R P32245 1/20 0.44
MC3R P41968 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
GSK3A P49840 1/20 0.43
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 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
SCHEMBL18827716 0.88 CYP1A2 (0.46) CYP1A2CYP2A6MEN1KMT2ASLC1A3
SCHEMBL10196954 0.88 CYP1A2 (0.46) CYP1A2CYP2A6MEN1KMT2ASLC1A3
SCHEMBL10259718 0.84 SLC1A3 (0.44) CYP1A2CYP2A6MEN1KMT2ASLC1A3
SCHEMBL10137777 0.80 CYP1A2 (0.53) CYP1A2CYP2A6MEN1KMT2AMAPK10
SCHEMBL934793 0.80 TSHR (0.50) MEN1KMT2AL3MBTL1ALOX5
SCHEMBL31204539 0.79 HTR2C (0.50) CYP1A2CYP2A6MEN1KMT2AMAPK10
SCHEMBL3800271 0.78 GAA (0.56) CYP1A2CYP2A6MEN1KMT2AMAPK10
SCHEMBL560140 0.77 CTBP2 (0.54) CYP1A2MEN1KMT2A
SCHEMBL20229564 0.77 PPARG (0.48) CYP1A2CYP2A6MEN1KMT2AL3MBTL1
SCHEMBL559690 0.76 ALDH1A1 (0.44) KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 US disclosed
US-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 US disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 US disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 US disclosed
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF JNC CORP (JP) 2014-10-02 US disclosed
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF JNC CORP (JP) 2014-10-02 US disclosed
US-8765921-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2014-07-01 US disclosed
US-8765921-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2014-07-01 US disclosed
US-20140024058-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-01-23 US disclosed
US-20140024058-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-01-23 US disclosed
US-8546568-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2013-10-01 US disclosed
US-8546568-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2013-10-01 US disclosed
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-09 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-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI CYP1A2 149/4885CYP2A6 432/4885MEN1 655/4885
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI CYP1A2 149/4885CYP2A6 432/4885MEN1 655/4885

“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.