SCHEMBL4081711

SCHEMBL4081711

C=C1C(=O)O[C@@H]2C=C(C)CCC=C(CNCCC)CC[C@H]12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 8/20 0.65
▸ TAS2R46 P59540 4/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ RECQL P46063 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ TERT O14746 1/20 0.65
▸ PTPN1 P18031 2/20 0.40
▸ PTPN2 P17706 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ STAT6 P42226 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36

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
SCHEMBL13629609 1.00 PKM (0.65) PKMTAS2R46MEN1KMT2ARECQL
SCHEMBL4081707 1.00 PKM (0.65) PKMTAS2R46MEN1KMT2ARECQL
SCHEMBL4090929 0.90 PKM (0.64) PKMTAS2R46MEN1KMT2ARECQL
SCHEMBL13629610 0.90 PKM (0.64) PKMTAS2R46MEN1KMT2ARECQL
SCHEMBL4090925 0.90 PKM (0.64) PKMTAS2R46MEN1KMT2ARECQL
SCHEMBL31487118 0.82 PKM (0.74) PKMTAS2R46MEN1KMT2ARECQL
SCHEMBL4097327 0.80 PKM (0.61) PKMTAS2R46MEN1KMT2ARECQL
SCHEMBL13629605 0.80 PKM (0.61) PKMTAS2R46MEN1KMT2ARECQL
SCHEMBL4097330 0.80 PKM (0.61) PKMTAS2R46MEN1KMT2ARECQL
SCHEMBL4755810 0.80 PKM (0.61) PKMTAS2R46MEN1KMT2ARECQL

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
US-7622465-B2 Costunolide derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-11-24 — — US disclosed
US-20090131427-A1 Costunolide Derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-21 — — US disclosed
US-7488836-B2 Costunolide derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-02-10 — — US disclosed
US-20080051396-A1 COSTUNOLIDE DERIVATIVES HUTCHISON MEDIPHARMA LIMITED (BS) 2008-02-28 — — 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 (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-20090131427-A1 Costunolide Derivatives NOS1, NFKBIA, NOS2 PKM 4351/4885TAS2R46 2774/4885MEN1 1603/4885
US-20080051396-A1 COSTUNOLIDE DERIVATIVES NOS1, NFKBIA, RELA PKM 3601/4885TAS2R46 3240/4885MEN1 1427/4885

“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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