SCHEMBL14552385

SCHEMBL14552385

O=C(O)CCCC/C=C/c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
FAAH O00519 1/20 0.55
CNR2 P34972 1/20 0.55
CYP1A2 P05177 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TBXAS1 P24557 3/20 0.50
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TRPM8 Q7Z2W7 2/20 0.49

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
SCHEMBL30525080 0.89 FAAH (0.58) SOAT1HDAC6HDAC3HDAC1FAAH
SCHEMBL14552374 0.82 SOAT1 (0.50) SOAT1HDAC6HDAC3HDAC1FAAH
Piperettine SCHEMBL29371038 0.82 TRPV1 (0.63) SOAT1HDAC6HDAC3HDAC1FAAH
Piperettine SCHEMBL15159493 0.82 TRPV1 (0.63) SOAT1HDAC6HDAC3HDAC1FAAH
SCHEMBL3963333 0.82 TRPV1 (0.60) SOAT1HDAC6HDAC3HDAC1FAAH
SCHEMBL31329216 0.82 TRPV1 (0.60) SOAT1HDAC6HDAC3HDAC1FAAH
SCHEMBL14025734 0.82 TRPV1 (0.60) SOAT1HDAC6HDAC3HDAC1FAAH
Piperettine SCHEMBL29477286 0.82 TRPV1 (0.63) SOAT1HDAC6HDAC3HDAC1FAAH
SCHEMBL3963336 0.82 TRPV1 (0.60) SOAT1HDAC6HDAC3HDAC1FAAH
SCHEMBL8828210 0.81 HSD17B10 (0.60) HDAC6HDAC3HDAC1CYP1A2HSD17B10

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 453/4885HDAC6 1099/4885HDAC3 849/4885

“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.