SCHEMBL17306124

SCHEMBL17306124

CC(C)c1ccc(N2CCN(C3COC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.42
ESRRG P62508 1/20 0.40
PANK3 Q9H999 3/20 0.40
KDM2B Q8NHM5 4/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL26498519 0.88 ALDH1A1 (0.45) RORCALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL17660589 0.86 L3MBTL1 (0.48) ALDH1A1L3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL10169300 0.85 KMT2A (0.53) L3MBTL1KDM4EKMT2AKDM2BL3MBTL3
SCHEMBL10169301 0.82 KDM2B (0.53) L3MBTL1KDM4EKMT2AKDM2BL3MBTL3
SCHEMBL21026598 0.82 SIGMAR1 (0.53) L3MBTL1KMT2AKDM2BL3MBTL3HRH3
SCHEMBL17660576 0.82 NOTUM (0.47) RORCALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL12005505 0.81 MAPT (0.52) RORCALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL16440141 0.81 AKR1C3 (0.49) RORCALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL20457835 0.81 CHRM1 (0.43) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL14923973 0.81 SIGMAR1 (0.55) L3MBTL1KMT2AKDM2BL3MBTL3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-01-17 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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 (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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS RORC 2768/4885ALDH1A1 4260/4885L3MBTL1 806/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS RORC 2768/4885ALDH1A1 4260/4885L3MBTL1 806/4885
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS RORC 2768/4885ALDH1A1 4260/4885L3MBTL1 806/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS RORC 2768/4885ALDH1A1 4260/4885L3MBTL1 806/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN RORC 1051/4885ALDH1A1 4181/4885L3MBTL1 2129/4885

“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.