SCHEMBL13562798

SCHEMBL13562798

C=C(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 6/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37
▸ TUBA1B P68363 2/20 0.37
▸ TUBA4A P68366 2/20 0.37
▸ TUBB4B P68371 2/20 0.37

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
SCHEMBL12545441 0.87 CYP1A2 (0.42) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL13562775 0.84 APP (0.42) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL12545393 0.83 ALDH1A1 (0.39) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL13562839 0.83 TUBB4A (0.37) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL12545603 0.82 SERPINE1 (0.54) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL13562766 0.82 TUBB4A (0.39) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL13562776 0.81 TUBB4A (0.42) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL80103 0.81 CYP1A2 (0.63) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL13562753 0.81 CYP2C9 (0.47) RAF1CYP1A2CDK1CYP2C9CCNB1
SCHEMBL13562833 0.80 TUBB4A (0.43) RAF1CYP1A2CDK1CYP2C9CCNB1

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-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 — — 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-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS RAF1 1116/4885CYP1A2 2042/4885CDK1 477/4885

“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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