SCHEMBL10137154

SCHEMBL10137154

CCCCOc1cc(C(=O)O)c(-c2ccccc2)c2cc(SC)c(SC)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.44
DHODH Q02127 1/20 0.43
TP53 P04637 1/20 0.40
WDR5 P61964 1/20 0.39
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
CNR2 P34972 2/20 0.39
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
S1PR3 Q99500 1/20 0.38
CNR1 P21554 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL15452270 0.93 PTPN11 (0.46) PTPN11DHODHTP53THRATHRB
SCHEMBL15459687 0.91 PTPN11 (0.41) PTPN11TP53THRATHRBPTPN1
SCHEMBL15247976 0.86 L3MBTL1 (0.52) PTPN11DHODHCNR2
SCHEMBL4572111 0.83 CYP1A2 (0.47) THRATHRBCNR2
SCHEMBL10137170 0.82 BCHE (0.37) PTPN11THRATHRBCNR2PTPN1
SCHEMBL17733191 0.81 DHODH (0.45) PTPN11DHODH
SCHEMBL15459724 0.81 L3MBTL1 (0.48) PTPN11DHODH
SCHEMBL15452269 0.81 L3MBTL1 (0.48) PTPN11DHODHTHRATHRBCNR2
SCHEMBL10070479 0.79 PTPN11 (0.40) PTPN11DHODHTP53WDR5CNR2
SCHEMBL13556899 0.79 PTPN11 (0.40) PTPN11DHODHTP53WDR5CNR2

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 3 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
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 PTPN11 522/4885DHODH 1783/4885TP53 2382/4885

“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.