SCHEMBL3473476

SCHEMBL3473476

CC(C)(C)OC(=O)Cn1c(=O)c(C(C)(C)C)nc2ccc(-c3cccc(OC(F)(F)F)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
TRPC5 Q9UL62 2/20 0.38
BRD4 O60885 2/20 0.38
PPARG P37231 1/20 0.38
APEX1 P27695 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SCD O00767 1/20 0.37
DHODH Q02127 1/20 0.36
SERPINE1 P05121 1/20 0.36
MAPK14 Q16539 1/20 0.36
MGLL Q99685 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
SCHEMBL3473813 0.92 KDM4E (0.41) ALDH1A1KDM4EBRD4SERPINE1
SCHEMBL3473822 0.90 FFAR1 (0.43) FFAR1FFAR4DHODHSERPINE1
SCHEMBL3376765 0.85 TRPC5 (0.46) GRIN1GRIN2BTRPC5BRD4PPARG
SCHEMBL3435117 0.84 FFAR1 (0.46) GRIN1GRIN2BTRPC5BRD4PPARG
SCHEMBL3473519 0.83 FFAR1 (0.44) GRIN1GRIN2BTRPC5BRD4PPARG
SCHEMBL3377379 0.82 BRD4 (0.48) ALDH1A1KDM4EGRIN1GRIN2BTRPC5
SCHEMBL3410099 0.81 BRD4 (0.41) BRD4
SCHEMBL3473464 0.81 SCD (0.51) GRIN1GRIN2BTRPC5BRD4SCD
SCHEMBL3377951 0.80 MAPK14 (0.45) GRIN1GRIN2BTRPC5PPARGDHODH
SCHEMBL3476245 0.78 KDM4E (0.42) KDM4E

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-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 ALDH1A1 503/4885KDM4E 1283/4885GRIN1 1435/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 ALDH1A1 503/4885KDM4E 1283/4885GRIN1 1435/4885

“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.