SCHEMBL4572111

SCHEMBL4572111

CCCCOc1cc(N)c(-c2ccccc2)c2cc(SC)c(SC)cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
TLR8 Q9NR97 3/20 0.39
NCF1 P14598 4/20 0.37
LTA4H P09960 1/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
MCHR1 Q99705 1/20 0.34
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15452336 0.93 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL15459688 0.89 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL10137170 0.86 BCHE (0.37) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL4568721 0.83 GSK3B (0.40) LTA4H
SCHEMBL10137154 0.83 PTPN11 (0.44) THRATHRBCNR2
SCHEMBL15452271 0.81 THRA (0.35) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL17733172 0.80 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL10070993 0.78 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL13556904 0.77 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL15452270 0.77 PTPN11 (0.46) THRATHRBSMN1; 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
EP-2463280-B1 CHROMENE COMPOUND TOKUYAMA CORP (JP) 2013-09-11 EP disclosed
US-8308996-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2012-11-13 US disclosed
EP-2463280-A1 CHROMENE COMPOUND Tokuyama Corporation (JP) 2012-06-13 EP 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 CYP1A2 709/4885CYP2C9 475/4885CYP2C19 707/4885

“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.