SCHEMBL13531099

SCHEMBL13531099

CCCCOc1cc(C)cc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ PLA2G2A P14555 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ LTA4H P09960 2/20 0.41
▸ AHR P35869 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NR5A1 Q13285 1/20 0.40

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
SCHEMBL14331832 0.85 PLA2G2A (0.48) ALDH1A1HTTPLA2G2ACA12CA1
SCHEMBL16950755 0.84 KCNH2 (0.48) KCNH2KDM4EHPGDALDH1A1GAA
SCHEMBL7926658 0.84 PLA2G2A (0.59) KCNH2KDM4EHPGDALDH1A1HTT
SCHEMBL16951596 0.83 CA12 (0.41) CA12CA1CA2TSHRCA7
SCHEMBL17640942 0.83 KCNH2 (0.42) KCNH2ALDH1A1MAPT
SCHEMBL16951475 0.81 KDM4E (0.43) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL16957654 0.81 KDM4E (0.43) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL16951369 0.81 PLA2G2A (0.49) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL1071885 0.81 TP53 (0.50) KDM4EALDH1A1HTTPLA2G2ATSHR
SCHEMBL12127914 0.80 MAPT (0.49) KCNH2LTA4HMAPT

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN KCNH2 4792/4885KDM4E 1893/4885HPGD 3034/4885

“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.

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