SCHEMBL14315652

SCHEMBL14315652

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nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA2A P08913 1/20 0.34
CNR1 P21554 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.31

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
SCHEMBL15087213 1.00 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL16802865 0.90 TDP1 (0.52) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL12094065 0.89 TDP1 (0.67) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL13255781 0.88 TDP1 (0.51) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL14686224 0.88 TDP1 (0.51) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL359304 0.88 TDP1 (0.55) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL2580946 0.88 TDP1 (0.55) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL2579133 0.88 TDP1 (0.55) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL18214049 0.87 TDP1 (0.52) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL24119147 0.86 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2

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-8440853-B2 Ester compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-14 US disclosed
US-20120322870-A1 ESTER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-20 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-20120322870-A1 ESTER COMPOUND AND USE THEREOF C9, CASP4, C1S TDP1 4015/4885MEN1 269/4885KMT2A 1087/4885

“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.