SCHEMBL4568680

SCHEMBL4568680

CC1(C)CC(C)(C)CC2(C1)c1ccccc1-c1c2cc(O)c2cc(N3CCOCC3)c(CS)cc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.32
BRD4 O60885 1/20 0.31
PDK2 Q15119 2/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NSD2 O96028 1/20 0.31
LMNA P02545 1/20 0.31
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16360479 0.86
SCHEMBL16300276 0.84 ALDH1A1 (0.32) BRD4PDK2MAPTL3MBTL1NSD2
SCHEMBL4568665 0.84 ALDH1A1 (0.32) BRD4PDK2MAPTL3MBTL1NSD2
SCHEMBL10267942 0.84 PDK2 (0.37) PDK2MAPTL3MBTL1TDP1
SCHEMBL4568640 0.83
SCHEMBL4568682 0.83
SCHEMBL10262645 0.82 CFTR (0.36) PDK2MAPTL3MBTL1LMNAMEN1
SCHEMBL4568677 0.81
SCHEMBL16360481 0.81 NPSR1 (0.31) BRD4MAPTMEN1KMT2A
SCHEMBL10261936 0.81 PDK2 (0.37) PDK2MAPTL3MBTL1TDP1

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-8308996-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2012-11-13 US disclosed
US-20120121934-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2012-05-17 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 (1 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-20120121934-A1 CHROMENE COMPOUND TST, CNOT1, CNOT9 ALK 1267/4885BRD4 509/4885PDK2 2443/4885

“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.