SCHEMBL19635944

SCHEMBL19635944

Cc1ccc2oc(=O)c(C#N)c(C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.60
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
ALPL P05186 5/20 0.52
ALPI P09923 4/20 0.50
KCNH2 Q12809 1/20 0.50
MAOB P27338 7/20 0.48
MAOA P21397 5/20 0.48
NQO1 P15559 1/20 0.48
NT5E P21589 1/20 0.44

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
SCHEMBL30876199 1.00 HSD17B3 (0.60) HSD17B3KDM4EMEN1CYP3A4MAPT
SCHEMBL29206959 0.87 HSD17B3 (0.73) HSD17B3KDM4EMEN1CYP3A4MAPT
SCHEMBL3076160 0.84 HSD17B3 (0.57) HSD17B3KDM4EMEN1CYP3A4MAPT
SCHEMBL3079524 0.84 HSD17B3 (0.57) HSD17B3KDM4EMEN1CYP3A4MAPT
SCHEMBL3078189 0.84 HSD17B3 (0.57) HSD17B3KDM4EMEN1CYP3A4MAPT
SCHEMBL4570872 0.81 NQO1 (0.57) HSD17B3KDM4EMEN1CYP3A4MAPT
SCHEMBL11067092 0.80 KDM4E (0.66) HSD17B3KDM4EMEN1CYP3A4MAPT
SCHEMBL3086227 0.77 HSD17B3 (0.60) HSD17B3KDM4EMEN1CYP3A4MAPT
SCHEMBL1091352 0.76 HSD17B3 (0.55) HSD17B3KDM4EMEN1CYP3A4MAPT
SCHEMBL1133508 0.75 HSD17B3 (1.00) HSD17B3ALPLALPIMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005591-A Coumarin derivative and synthetic method and application thereof 陕西科技大学 2024-05-10 CN disclosed
CN-118005599-A 7-Aminocoumarin derivative and synthetic method and application thereof 陕西科技大学 2024-05-10 CN disclosed
US-10329542-B2 HBV RNAse H purification and enzyme inhibitors SAINT LOUIS UNIVERSITY (US) 2019-06-25 US disclosed
US-20170335296-A1 HBV RNASE H PURIFICATION AND ENZYME INHIBITORS SAINT LOUIS UNIVERSITY (US) 2017-11-23 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 (2 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-20170335296-A1 HBV RNASE H PURIFICATION AND ENZYME INHIBITORS RNASEH1, RNASE1, RNASEL HSD17B3 2020/4885KDM4E 3174/4885MEN1 2978/4885
US-10329542-B2 HBV RNAse H purification and enzyme inhibitors RNASEH1, RNASE1, RNASEL HSD17B3 2020/4885KDM4E 3174/4885MEN1 2978/4885

“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.