SCHEMBL2128136

SCHEMBL2128136

O=C1CCCCC1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
FKBP1A P62942 5/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.46
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
MAPK1 P28482 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
SCHEMBL5319406 1.00 MCL1 (0.56) MCL1FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL1666324 0.95 CYP3A4 (0.52) MCL1FKBP1ACYP3A4CYP2C9CYP2C19
SCHEMBL988117 0.89 TSHR (0.51) FKBP1ACYP3A4CYP2C9CYP2C19TSHR
SCHEMBL6631309 0.81 TSHR (0.47) FKBP1ACYP3A4CYP2C9CYP2C19TSHR
SCHEMBL13319642 0.80 FKBP1A (0.47) FKBP1ACYP3A4CYP2C9CYP2C19TSHR
SCHEMBL18084809 0.78 SMN1; SMN2 (0.52) CYP3A4CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL17365604 0.78 CYP3A4 (0.53) FKBP1ACYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11982183 0.78 CYP3A4 (0.53) FKBP1ACYP3A4CYP2C9CYP2C19TSHR
SCHEMBL17766262 0.78 TSHR (0.55) FKBP1ATSHREPHX1FABP7FABP5
SCHEMBL16347238 0.78 TSHR (0.55) FKBP1ATSHREPHX1FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
US-10874673-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
US-10874673-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
CN-104922128-B Inhibitors of influenza virus replication 沃泰克斯药物股份有限公司 2019-12-20 CN disclosed
CN-110540538-A Inhibitors of influenza virus replication VERTEX PHARMA 2019-12-06 CN disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2019-05-23 US disclosed
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2019-05-23 US disclosed
CN-102458408-A Inhibitors of influenza virus replication VERTEX PHARMA 2012-05-16 CN disclosed
EP-2442809-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2012-04-25 EP disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 WO disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 WO disclosed
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-06-17 US disclosed
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-06-17 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
EP-1828099-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS Cardimone Pharma Corporation (CA) 2007-09-05 EP disclosed
WO-2006088525-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2006-08-24 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-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 MCL1 4515/4885FKBP1A 2561/4885CYP3A4 2237/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A MCL1 4147/4885FKBP1A 1805/4885CYP3A4 1274/4885
US-10874673-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 MCL1 4515/4885FKBP1A 2561/4885CYP3A4 2237/4885
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 MCL1 890/4885FKBP1A 2053/4885CYP3A4 11/4885

“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.