SCHEMBL21999240

SCHEMBL21999240

O=C1C=C(c2ccccc2)c2ccccc2C1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.46
PTPRC P08575 2/20 0.46
PTPRF P10586 1/20 0.46
CDC25B P30305 1/20 0.46
BACE1 P56817 5/20 0.42
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HSD17B3 P37058 1/20 0.38
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL5549225 0.79 PTPN1 (0.38) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL28806317 0.69 ALDH1A1 (0.37) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL25834603 0.68 BACE1 (0.42) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL15906510 0.68 CYP2D6 (0.47) CDC25BHDAC4HDAC8HDAC6MAOA
SCHEMBL5436457 0.68 EDNRB (0.55) PTPRCCDC25BMAOAMAOBEDNRB
SCHEMBL29376368 0.66 MAOA (0.52) HDAC4HDAC8HDAC6MAOAMAOB
SCHEMBL216862 0.66 MAOA (0.52) HDAC4HDAC8HDAC6MAOAMAOB
SCHEMBL29884836 0.66 MAOA (0.52) HDAC4HDAC8HDAC6MAOAMAOB
SCHEMBL30433091 0.66 PTPN1 (0.76) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL5139479 0.66 PTPN1 (0.76) PTPN1PTPRCPTPRFCDC25BBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS SAINT LOUIS UNIVERSITY (US) 2020-05-14 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-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS DNTT, APRT, RNGTT PTPN1 2768/4885PTPRC 3505/4885PTPRF 2295/4885

“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.