SCHEMBL15723799

SCHEMBL15723799

CC(C)n1ccc(C(C)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
ACHE P22303 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RAF1 P04049 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL950045 0.86 IDH1 (0.39) DYRK1AACHEHDAC1HDAC6IDH1
SCHEMBL25144874 0.84 DYRK1A (0.36) DYRK1AACHEHDAC1HDAC6IDH1
SCHEMBL2956511 0.83 DYRK1A (0.38) DYRK1ARAF1
SCHEMBL22056656 0.82 DYRK1A (0.35) DYRK1AACHEHDAC1HDAC6
SCHEMBL16854832 0.82 DYRK1A (0.35) DYRK1AACHEHDAC1HDAC6
SCHEMBL21676107 0.79 DYRK1A (0.33) DYRK1AHDAC1HDAC6
SCHEMBL20757802 0.79 DYRK1A (0.31) DYRK1A
SCHEMBL29324839 0.72
SCHEMBL14552529 0.72 ACHE (0.36) ACHE
SCHEMBL21166074 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067629-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2024-02-29 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (3 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-20240067629-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN DYRK1A 4681/4885ACHE 2561/4885HDAC1 85/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN DYRK1A 4862/4885ACHE 3996/4885HDAC1 274/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN DYRK1A 4862/4885ACHE 3996/4885HDAC1 274/4885

“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.