SCHEMBL897654

SCHEMBL897654

COc1cc(CC(=O)OC(C)C)ccc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
GAA P10253 5/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
LDHA P00338 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 5/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.46
CA5A P35218 1/20 0.46
KLK7 P49862 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL3010672 0.92 ABL1 (0.58) TSHRABL1RIN1GAAMAPT
SCHEMBL2391813 0.86 ALDH1A1 (0.53) ABL1RIN1GAAMAPTMEN1
SCHEMBL2392443 0.85 CA5A (0.62) TSHRABL1RIN1GAAMAPT
SCHEMBL10245332 0.85 POLB (0.57) TSHRABL1RIN1GAAMAPT
SCHEMBL17179858 0.84 TSHR (0.65) TSHRGAAMAPTMEN1HPGD
SCHEMBL30242343 0.84 TSHR (0.65) TSHRGAAMAPTMEN1HPGD
SCHEMBL2392519 0.84 LDHA (0.49) TSHRABL1RIN1GAAMAPT
SCHEMBL16104127 0.81 LDHA (0.47) TSHRABL1RIN1GAAMAPT
SCHEMBL6973455 0.80 LDHA (0.47) TSHRABL1RIN1GAAMAPT
SCHEMBL19164289 0.78 CA2 (0.49) TSHRABL1RIN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
US-20140275158-A1 CYCLOHEXYL ISOQUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
EP-2721007-A1 CYCLOHEXYL ISOQUINOLINONE COMPOUNDS Novartis AG (CH) 2014-04-23 EP disclosed
WO-2012175487-A1 CYCLOHEXYL ISOQUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2012-12-27 WO disclosed
WO-2012175487-A1 CYCLOHEXYL ISOQUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2012-12-27 WO disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US disclosed
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 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 (4 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 TSHR 1860/4885ABL1 159/4885RIN1 2788/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 TSHR 1860/4885ABL1 159/4885RIN1 2788/4885
US-20140275158-A1 CYCLOHEXYL ISOQUINOLINONE COMPOUNDS MDM2, MDM4, TP53 TSHR 4570/4885ABL1 321/4885RIN1 1659/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 TSHR 1860/4885ABL1 159/4885RIN1 2788/4885

“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.