SCHEMBL523093

SCHEMBL523093

CC(C)=CCCC(C)CC=CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GGPS1 O95749 2/20 0.38
▸ FDPS P14324 2/20 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
SCHEMBL523092 1.00 ALOX15 (0.49) ALOX15ALDH1A1FNTAFNTBUSP2
SCHEMBL1150421 1.00 ALOX15 (0.49) ALOX15ALDH1A1FNTAFNTBUSP2
SCHEMBL1150423 1.00 ALOX15 (0.49) ALOX15ALDH1A1FNTAFNTBUSP2
SCHEMBL11844978 0.88 ALOX15 (0.45) ALOX15ALDH1A1FNTAFNTBUSP2
SCHEMBL11844971 0.88 ALOX15 (0.45) ALOX15ALDH1A1FNTAFNTBUSP2
SCHEMBL7933532 0.87 ALOX15 (0.50) ALOX15ALDH1A1FNTAFNTBUSP2
SCHEMBL7933530 0.87 ALOX15 (0.50) ALOX15ALDH1A1FNTAFNTBUSP2
SCHEMBL9578903 0.87 ALOX15 (0.50) ALOX15ALDH1A1FNTAFNTBUSP2
SCHEMBL9578905 0.87 ALOX15 (0.50) ALOX15ALDH1A1FNTAFNTBUSP2
SCHEMBL11755839 0.87 KDM4E (0.46) ALOX15ALDH1A1FNTAFNTBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417082-B1 CATALYTIC WITTIG AND MITSUNOBU REACTIONS UNIV TEXAS (US) 2016-03-16 — — EP disclosed
US-8901365-B2 Catalytic Wittig and Mitsunobu reactions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-12-02 — — US disclosed
EP-2417082-A2 CATALYTIC WITTIG AND MITSUNOBU REACTIONS THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-15 — — EP disclosed
US-20120029211-A1 Catalytic Wittig and Mitsunobu Reactions THE UNIVERSITY OF TEXAS AT ARLINGTON 2012-02-02 — — US disclosed
US-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2011-02-03 — — US disclosed
WO-2010118042-A2 CATALYTIC WITTIG AND MITSUNOBU REACTIONS BOARD OF REGENTS THE UNIVERSITY OF TEXAS AT ARLINGTON (US) 2010-10-14 — — WO 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-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS PCCA, CBR3, CBR1 ALOX15 717/4885ALDH1A1 367/4885FNTA 540/4885

“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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