SCHEMBL19004672

SCHEMBL19004672

CC(C)(C)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.44
RCOR1 Q9UKL0 1/20 0.44
MAOB P27338 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAOA P21397 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
PDE5A O76074 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CCR6 P51684 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL18998726 0.81 KDM1A (0.47) KDM1ARCOR1MAOBL3MBTL1MAOA
SCHEMBL18998470 0.81 KDM1A (0.47) KDM1ARCOR1MAOBL3MBTL1MAOA
SCHEMBL12875677 0.81 KDM1A (0.47) KDM1ARCOR1MAOBL3MBTL1MAOA
SCHEMBL7001127 0.78 KDM1A (0.58) KDM1ARCOR1MAOBMAOAHTR2C
SCHEMBL7001130 0.78 KDM1A (0.58) KDM1ARCOR1MAOBMAOAHTR2C
SCHEMBL22209907 0.77 L3MBTL1 (0.44) KDM1ARCOR1L3MBTL1ALDH1A1TSHR
SCHEMBL25004743 0.76 KDM1A (0.43) KDM1ARCOR1MAOBL3MBTL1MAOA
SCHEMBL22335040 0.76 KDM1A (0.49) KDM1ARCOR1MAOBL3MBTL1ALDH1A1
SCHEMBL19004669 0.76 KDM1A (0.49) KDM1ARCOR1MAOBL3MBTL1ALDH1A1
SCHEMBL18997060 0.75 KDM1A (0.54) KDM1AHTR2CSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316049-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 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 (2 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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS KDM1A 2010/4885RCOR1 1638/4885MAOB 4119/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS KDM1A 2010/4885RCOR1 1638/4885MAOB 4119/4885

“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.