SCHEMBL16675885

SCHEMBL16675885

Cc1ccc(-c2cc(C(C)C)[nH]n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TP53 P04637 4/20 0.43
HCAR2 Q8TDS4 1/20 0.43
RAF1 P04049 6/20 0.42
BRAF P15056 3/20 0.42
POLB P06746 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
KMO O15229 2/20 0.40
ALPL P05186 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL14985532 0.88 MAPT (0.46) MAPTTP53HCAR2RAF1BRAF
SCHEMBL16675886 0.83 MAPT (0.44) MAPTTP53HCAR2RAF1BRAF
SCHEMBL16675884 0.81 SMN1; SMN2 (0.48) MAPTTP53POLBSMN1; SMN2HPGD
SCHEMBL2609449 0.80 CRHBP (0.51) MAPTTP53HCAR2RAF1BRAF
SCHEMBL16064396 0.80 NPC1 (0.61) MAPTNISCHKMOALPLCA9
SCHEMBL16675883 0.80 RAF1 (0.45) MAPTTP53HCAR2RAF1BRAF
SCHEMBL16675881 0.78 HCAR2 (0.49) MAPTTP53HCAR2RAF1BRAF
SCHEMBL14985521 0.78 TP53 (0.49) MAPTTP53HCAR2RAF1POLB
SCHEMBL11886212 0.77 SMN1; SMN2 (0.61) MAPTTP53HCAR2RAF1BRAF
SCHEMBL14985511 0.76 MAPT (0.48) MAPTTP53HCAR2POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9221814-B2 Heterocyclic guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-12-29 US disclosed
US-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MAPT 3486/4885TP53 610/4885HCAR2 3011/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C MAPT 2894/4885TP53 1551/4885HCAR2 3441/4885

“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.