SCHEMBL13623318

SCHEMBL13623318

CC(O)CCCCCCCCCCC1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1396073 0.91 EPHX1 (0.57) EPHX1ALDH1A1
SCHEMBL12897266 0.85 KMT2A (0.37) EPHX1HPGDTP53ALOX12LMNA
SCHEMBL10858150 0.81 EPHX1 (0.46) EPHX1HPGDTP53ALOX12LMNA
SCHEMBL13294283 0.81 EPHX1 (0.60) EPHX1HPGDTP53ALOX12LMNA
SCHEMBL3684347 0.81 EPHX1 (0.60) EPHX1HPGDTP53ALOX12LMNA
SCHEMBL7544684 0.81 EPHX1 (0.48) EPHX1HPGDTP53ALOX12LMNA
SCHEMBL31354485 0.80 ALDH1A1 (0.32) EPHX1ALDH1A1
SCHEMBL30159877 0.78 LMNA (0.40) EPHX1HPGDTP53ALOX12LMNA
SCHEMBL16589328 0.78 EPHX1 (0.44) EPHX1HPGDTP53ALOX12LMNA
SCHEMBL7872734 0.77 ALDH1A1 (0.50) EPHX1ALDH1A1

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-7615526-B2 Furanoid and pyranoid C14-C18- oxabicycloalkanones as odoriferous and/or aroma substances SYMRISE GMBH & CO. KG (DE) 2009-11-10 US disclosed
US-20080234174-A1 FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-09-25 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-20080234174-A1 FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES CYP19A1, OXER1, AKR1C4 EPHX1 298/4885HPGD 64/4885TP53 2190/4885

“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.