SCHEMBL23228769

SCHEMBL23228769

C=CCC(CC)(CC)c1ccc(Oc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 14/20 0.51
▸ PARP15 Q460N3 4/20 0.51
▸ PARP14 Q460N5 2/20 0.51
▸ PARP4 Q9UKK3 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PARP16 Q8N5Y8 1/20 0.51
▸ PARP11 Q9NR21 1/20 0.51
▸ PARP3 Q9Y6F1 1/20 0.47
▸ PARP2 Q9UGN5 3/20 0.42
▸ TNKS O95271 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38

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
SCHEMBL21656859 0.86 OPRM1 (0.49) —
SCHEMBL21656987 0.85 PARP10 (0.50) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL21656587 0.85 HPGD (0.58) ALDH1A1MMP14NPC1POLBRAB9A
SCHEMBL21656483 0.85 MAPT (0.44) ALDH1A1KMT2ACA1CA2NPC1
SCHEMBL21656579 0.85 CA1 (0.45) CA1CA2NPC1POLBRAB9A
SCHEMBL23228767 0.85 PARP10 (0.44) PARP10SMN1; SMN2
SCHEMBL23228794 0.84 HPGD (0.56) ALDH1A1KMT2AMAOBMMP14NPC1
SCHEMBL21166650 0.81 MAPT (0.57) PARP10ALDH1A1KMT2AMAOBNPC1
SCHEMBL23228813 0.80 PTGER4 (0.35) PARP10MAOBSMN1; SMN2
SCHEMBL21656972 0.77 MAPT (0.48) ALDH1A1NPC1POLBCYP2C9RAB9A

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-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — 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-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PARP10 1944/4885PARP15 2818/4885PARP14 2599/4885

“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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