SCHEMBL17375370

SCHEMBL17375370

COc1cc(C)ccc1C[O]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
L3MBTL1 Q9Y468 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 5/20 0.45
MAPK1 P28482 3/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL10187102 0.85 L3MBTL1 (0.60) ACHEL3MBTL1KDM4EALDH1A1CYP3A4
SCHEMBL12806451 0.83 ACHE (0.56) ACHEL3MBTL1KDM4EALDH1A1CYP3A4
SCHEMBL22566468 0.83 ACHE (0.60) ACHEL3MBTL1KDM4EALDH1A1CYP3A4
SCHEMBL8231646 0.79 ACHE (0.56) ACHEL3MBTL1KDM4EALDH1A1CYP3A4
SCHEMBL1046460 0.79 APLNR (0.63) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL9023705 0.79 ACHE (0.56) ACHEL3MBTL1KDM4EALDH1A1CYP3A4
SCHEMBL12174283 0.79 ACHE (0.56) ACHEL3MBTL1KDM4EALDH1A1CYP3A4
SCHEMBL95794 0.79 ACHE (0.56) ACHEL3MBTL1KDM4EALDH1A1CYP3A4
SCHEMBL703143 0.79 PDCD1 (0.56) ACHEL3MBTL1KDM4EALDH1A1CYP3A4
SCHEMBL15974038 0.79 ACHE (0.50) ACHEL3MBTL1KDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160977-A2 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS The University of Kansas (US) 2017-05-03 EP claimed
WO-2015200514-A2 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS THE UNIVERSITY OF KANSAS (US) 2015-12-30 WO claimed
US-11708319-B2 Biphenyl amides with modified ether groups as HSP90 inhibitors and HSP70 inducers UNIVERSITY OF KANSAS (US) 2023-07-25 US disclosed
US-20220041543-A1 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS REATA PHARMACEUTICALS, INC. 2022-02-10 US disclosed
US-20200270201-A1 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS REATA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
US-10590065-B2 Biphenyl amides with modified ether groups as HSP90 inhibitors and HSP70 inducers UNIVERSITY OF KANSAS (US) 2020-03-17 US disclosed
US-20180057446-A1 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS REATA PHARMACEUTICALS, INC. 2018-03-01 US disclosed
EP-3160977-A2 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS The University of Kansas (US) 2017-05-03 EP disclosed
WO-2015200514-A2 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS THE UNIVERSITY OF KANSAS (US) 2015-12-30 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 (5 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-20180057446-A1 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 1749/4885L3MBTL1 1721/4885KDM4E 2339/4885
US-11708319-B2 Biphenyl amides with modified ether groups as HSP90 inhibitors and HSP70 inducers HSP90AB2P, HSP90AB1, HSPB1 ACHE 1551/4885L3MBTL1 1727/4885KDM4E 2267/4885
US-20220041543-A1 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS HSP90AB2P, HSP90AB1, HSPB1 ACHE 1551/4885L3MBTL1 1727/4885KDM4E 2267/4885
US-20200270201-A1 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS HSP90AB2P, HSP90AB1, HSPB1 ACHE 1551/4885L3MBTL1 1727/4885KDM4E 2267/4885
US-10590065-B2 Biphenyl amides with modified ether groups as HSP90 inhibitors and HSP70 inducers HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 1749/4885L3MBTL1 1721/4885KDM4E 2339/4885

“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.