SCHEMBL9993971

SCHEMBL9993971

CC(O)C(C)(O)CCCC1C=CC(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ XPO1 O14980 1/20 0.33
▸ PDCD4 Q53EL6 2/20 0.32
▸ TUBAL3 A6NHL2 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBA3E Q6PEY2 1/20 0.30
▸ TUBA1A Q71U36 1/20 0.30
▸ TUBA1C Q9BQE3 1/20 0.30
▸ TUBA8 Q9NY65 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
SCHEMBL17866952 0.94 PDCD4 (0.33) XPO1PDCD4
SCHEMBL9992232 0.83 ELANE (0.32) —
SCHEMBL9995108 0.79 PDCD4 (0.30) PDCD4
SCHEMBL9993662 0.78 PDCD4 (0.31) PDCD4
SCHEMBL9992410 0.74 CES2 (0.32) PDCD4
SCHEMBL3505080 0.70 PDCD4 (0.40) PDCD4
SCHEMBL9991197 0.69 PDCD4 (0.36) XPO1PDCD4TUBAL3TUBA3CTUBA1B
SCHEMBL31264317 0.68 NLRP3 (0.34) PDCD4
SCHEMBL1895638 0.68 PDCD4 (0.43) PDCD4
SCHEMBL31264316 0.68 NLRP3 (0.34) PDCD4

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-8177896-B2 Antifouling furan-2-one derivatives THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2012-05-15 — — US disclosed
US-20110185944-A1 ANTIFOULING FURAN-2-ONE DERIVATIVES THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2011-08-04 — — 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-20110185944-A1 ANTIFOULING FURAN-2-ONE DERIVATIVES FSCN1, PFAS, PFN1 XPO1 1361/4885PDCD4 3370/4885TUBAL3 3368/4885

“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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