SCHEMBL14552358

SCHEMBL14552358

OC(CCCC/C=C/c1ccc2c(c1)OCO2)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.47
TRPM8 Q7Z2W7 7/20 0.46
FAAH O00519 1/20 0.46
CNR2 P34972 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14552323 0.88 SOAT1 (0.48) SOAT1TRPM8FAAHCNR2HDAC3
SCHEMBL17914102 0.86 SOAT1 (0.47) SOAT1TRPM8FAAHCNR2HDAC3
SCHEMBL14552512 0.85 TRPM8 (0.49) TRPM8HDAC3HDAC1HDAC6HPGD
SCHEMBL14552385 0.76 SOAT1 (0.56) SOAT1TRPM8FAAHCNR2HDAC3
SCHEMBL9955679 0.74 CYP3A4 (0.55) TRPM8HDAC3HDAC1HDAC6HPGD
SCHEMBL5718458 0.74 FAAH (0.56) SOAT1TRPM8FAAHCNR2HDAC3
SCHEMBL28811157 0.74 FAAH (0.56) SOAT1TRPM8FAAHCNR2HDAC3
SCHEMBL8392526 0.74 FAAH (0.56) SOAT1TRPM8FAAHCNR2HDAC3
SCHEMBL8393161 0.74 FAAH (0.56) SOAT1TRPM8FAAHCNR2HDAC3
SCHEMBL9955675 0.74 CYP3A4 (0.55) TRPM8HDAC3HDAC1HDAC6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9386767-B2 Derivatives of dillapiol and related monolignans and use thereof UNIVERSITY OF OTTAWA (CA) 2016-07-12 US disclosed
US-9386767-B2 Derivatives of dillapiol and related monolignans and use thereof UNIVERSITY OF OTTAWA (CA) 2016-07-12 US disclosed
US-20130012477-A1 DERIVATIVES OF DILLAPIOL AND RELATED MONOLIGNANS AND USE THEREOF HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF HEALTH (CA) 2013-01-10 US disclosed
US-20130012477-A1 DERIVATIVES OF DILLAPIOL AND RELATED MONOLIGNANS AND USE THEREOF HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF HEALTH (CA) 2013-01-10 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-20130012477-A1 DERIVATIVES OF DILLAPIOL AND RELATED MONOLIGNANS AND USE THEREOF CYP3A43, CYP3A4, CYP4A22 SOAT1 453/4885TRPM8 457/4885FAAH 734/4885

“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.