SCHEMBL19041970

SCHEMBL19041970

C=C1C(=O)O[C@H]2CC3=C[C@@H](C/C(C)=C/[C@@H](OC(=O)Cc4coc5ccccc45)[C@H]12)OC3=O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPX4 P36969 2/20 0.76
▸ TXNRD1 Q16881 1/20 0.52
▸ GPR52 Q9Y2T5 1/20 0.42
▸ TSHR P16473 2/20 0.36
▸ CASP1 P29466 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL19036323 1.00 GPX4 (0.76) GPX4TXNRD1GPR52TSHRCASP1
SCHEMBL19036381 0.94 GPX4 (0.68) GPX4TXNRD1GPR52TSHRCASP1
SCHEMBL19036272 0.86 GPX4 (1.00) GPX4TXNRD1GPR52
SCHEMBL19036258 0.86 GPX4 (1.00) GPX4TXNRD1GPR52
SCHEMBL19042014 0.86 GPX4 (1.00) GPX4TXNRD1GPR52
SCHEMBL19036298 0.86 GPX4 (1.00) GPX4TXNRD1GPR52
SCHEMBL19036316 0.85 GPX4 (0.76) GPX4TXNRD1GPR52MAPTPOLB
SCHEMBL19036321 0.84 GPX4 (0.75) GPX4TXNRD1GPR52CASP1POLB
SCHEMBL19041944 0.84 GPX4 (0.75) GPX4TXNRD1GPR52CASP1POLB
SCHEMBL19036305 0.82 GPX4 (0.71) GPX4TXNRD1GPR52MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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