SCHEMBL8611902

SCHEMBL8611902

CC(=O)OC(CO)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.52
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.46
AR P10275 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 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
SCHEMBL3364884 0.91 POLB (0.60) POLBMAPTTHRBMTNR1AMTNR1B
SCHEMBL7083251 0.91 CYP2C9 (0.56) POLBMAPTTHRBMTNR1AMTNR1B
SCHEMBL7088180 0.89 POLB (0.52) POLBMAPTTHRBMTNR1AMTNR1B
SCHEMBL7089095 0.87 CYP2C9 (0.51) POLBMAPTTHRBLMNACYP2C9
SCHEMBL8611898 0.87 POLB (0.60) POLBMAPTTHRBMTNR1AMTNR1B
SCHEMBL11957636 0.85 POLB (0.55) POLBMAPTTHRBMTNR1AMTNR1B
SCHEMBL6360882 0.85 AR (0.61) POLBMAPTTHRBMTNR1AMTNR1B
SCHEMBL11629144 0.85 POLB (0.55) POLBMAPTTHRBMTNR1AMTNR1B
SCHEMBL13991644 0.84 MTNR1A (0.47) POLBMAPTTHRBMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11756567 0.84 POLB (0.54) POLBMAPTTHRBMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580416-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-02-28 US disclosed
US-9580416-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-02-28 US disclosed
US-9580416-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-02-28 US disclosed
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO disclosed
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO disclosed
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE SCHRODINGER, LLC 2016-01-07 US disclosed
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE SCHRODINGER, LLC 2016-01-07 US disclosed
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE SCHRODINGER, LLC 2016-01-07 US disclosed
EP-0580121-B1 Photosensitive polyfunctional aromatic diazo compounds and photosensitive compositions using the same TOYO GOSEI KOGYO KK (JP) 1998-04-08 EP disclosed
US-5589315-A SHELF LIFE, SCREEN PRINTING TOYO GOSEI KOGYO CO., LTD. (JP) 1996-12-31 US disclosed
US-5430130-A Photosensitive polyfunctional aromatic diazo compounds useful in photosensitive compositions TOYO GOSEI KOGYO CO., LTD. (JP) 1995-07-04 US disclosed
EP-0580121-A2 Photosensitive polyfunctional aromatic diazo compounds and photosensitive compositions using the same TOYO GOSEI KOGYO CO., LTD. (JP) 1994-01-26 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 (1 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-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK POLB 1765/4885MAPT 4186/4885THRB 1538/4885

“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.