SCHEMBL19041925

SCHEMBL19041925

C=C1C(=O)O[C@H]2CC3=C[C@@H](C/C(C)=C/[C@@H](OC(=O)CCc4cccc5ccccc45)[C@H]12)OC3=O

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPX4 P36969 2/20 0.86
▸ TXNRD1 Q16881 1/20 0.53
▸ GPR52 Q9Y2T5 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.36
▸ CDYL Q9Y232 1/20 0.36
▸ GRM2 Q14416 1/20 0.32
▸ GRM3 Q14832 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ ABCB1 P08183 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ S1PR5 Q9H228 2/20 0.30

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
SCHEMBL19036313 1.00 GPX4 (0.86) GPX4TXNRD1GPR52KDM4ECDYL
SCHEMBL19036366 0.94 GPX4 (0.76) GPX4TXNRD1GPR52KDM4ECDYL
SCHEMBL19036272 0.92 GPX4 (1.00) GPX4TXNRD1GPR52KDM4EABCB1
SCHEMBL19036298 0.92 GPX4 (1.00) GPX4TXNRD1GPR52KDM4EABCB1
SCHEMBL19042014 0.92 GPX4 (1.00) GPX4TXNRD1GPR52KDM4EABCB1
SCHEMBL19036258 0.92 GPX4 (1.00) GPX4TXNRD1GPR52KDM4EABCB1
SCHEMBL19036383 0.86 GPX4 (0.89) GPX4TXNRD1GPR52KDM4EABCB1
SCHEMBL19036355 0.86 GPX4 (0.89) GPX4TXNRD1GPR52KDM4EABCB1
SCHEMBL19036307 0.84 GPX4 (0.85) GPX4TXNRD1GPR52PTPN1ABCB1
SCHEMBL19041923 0.82 GPX4 (0.81) GPX4TXNRD1GPR52L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3151829-B1 NOVEL SESQUITERPENE DERIVATIVES AND THEIR USE IN INFLAMMATION AND CANCER TREATMENT ACADEMIA SINICA (TW) 2019-10-02 — — EP disclosed
US-10238631-B2 Sesquiterpene derivatives and their use in inflammation or cancer treatment ACADEMIA SINICA (TW) 2019-03-26 — — US disclosed
US-20170182001-A1 NOVEL SESQUITERPENE DERIVATIVES AND THEIR USE IN INFLAMMATION OR CANCER TREATMENT THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2017-06-29 — — 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-20170182001-A1 NOVEL SESQUITERPENE DERIVATIVES AND THEIR USE IN INFLAMMATION OR CANCER TREATMENT GSTK1, MIF, GSTA1 GPX4 242/4885TXNRD1 312/4885GPR52 661/4885
US-10238631-B2 Sesquiterpene derivatives and their use in inflammation or cancer treatment GSTK1, GSTA1, GTPBP10 GPX4 227/4885TXNRD1 449/4885GPR52 817/4885

“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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