SCHEMBL5532432

SCHEMBL5532432

CC1=CCCC(C)(C)C1/C=C/C(C)=C\C=C\C(C)=C\C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAPT P10636 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RXRA P19793 8/20 0.48
▸ RARA P10276 8/20 0.48
▸ RARB P10826 6/20 0.48
▸ RARG P13631 6/20 0.48
▸ RXRB P28702 4/20 0.48
▸ RXRG P48443 4/20 0.48
▸ PTGS1 P23219 3/20 0.48
▸ RORC P51449 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ BLM P54132 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48

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
SCHEMBL9856621 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL12494087 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL15609523 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL12494830 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL30575788 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL12493700 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL15609079 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL29435876 0.88 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL14566281 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL14566202 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232143-A1 LIPID DERIVATIVES PRONOVA BIOPHARMA NORGE AS 2012-09-13 — — US disclosed
US-8178708-B2 Lipid derivatives PRONOVA BIOPHARMA NORGE AS (NO) 2012-05-15 — — US disclosed
US-20110263046-A1 Methods of identification of novel ligands for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (NR1F3) activity PHENEX PHARMACEUTICALS AG (DE) 2011-10-27 — — US disclosed
US-20090105499-A1 LIPID DERIVATIVES PRONOVA BIOPHARMA NORGE AS (NO) 2009-04-23 — — US disclosed
WO-2007107869-A2 LIPID DERIVATIVES PRONOVA BIOPHARMA NORGE AS (NO) 2007-09-27 — — 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 (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-20120232143-A1 LIPID DERIVATIVES CYP4F3, STARD3, PLIN3 ALDH1A1 1254/4885CYP3A4 12/4885ALOX15 114/4885
US-20090105499-A1 LIPID DERIVATIVES PLIN3, STARD3, CYP4F3 ALDH1A1 1511/4885CYP3A4 15/4885ALOX15 158/4885

“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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