SCHEMBL5889449

SCHEMBL5889449

CCCCCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
HPGD P15428 2/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP2C9 P11712 1/20 1.00
ALOX15 P16050 1/20 1.00
CYP2C19 P33261 1/20 1.00
BLM P54132 1/20 1.00
PMP22 Q01453 1/20 1.00
TRPV1 Q8NER1 9/20 0.93
MEN1 O00255 1/20 0.87
TP53 P04637 1/20 0.87
MAPT P10636 1/20 0.87
MTOR P42345 1/20 0.87
KMT2A Q03164 1/20 0.87
EPHX2 P34913 1/20 0.81

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
SCHEMBL29669968 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL29368417 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL5088067 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL1155582 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
Nonivamide SCHEMBL81939 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL8373082 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL1155739 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL679954 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL2400979 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
Nonivamide SCHEMBL29425552 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038573-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2019-02-07 US disclosed
EP-3131541-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE Flex Pharma, Inc. (US) 2017-02-22 EP disclosed
US-20170042834-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2017-02-16 US disclosed
WO-2015160843-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE FLEX PHARMA, INC. (US) 2015-10-22 WO disclosed
US-7034058-B2 Anti-tumor pharmaceutical composition comprising N-vanillyl fatty acid amide KUREHA CORPORATION (JP) 2006-04-25 US disclosed
US-20040110844-A1 Anti-tumor pharmaceutical composition comprising N-vanillyl fatty acid amide KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED 2004-06-10 US disclosed
EP-1426047-A1 Anti-tumour pharmaceutical composition comprising N-vanillyl fatty acid amide Kureha Chemical Industry Company, Limited (JP) 2004-06-09 EP disclosed
US-6022718-A MAKING A FATTY ACID COMPOUND USEFUL IN THE FOOD INDUSRTY FOR DIETETICS AND HEALTH FOOD; REACTING FATTY ACID WITH CAPSAICIN AND LIPASE TO MAKE FATTY ACID AMIDE MARUZEN PHARMACEUTICALS CO., LTD. (JP) 2000-02-08 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-20040110844-A1 Anti-tumor pharmaceutical composition comprising N-vanillyl fatty acid amide ELOVL1, TRPV1, ELOVL5 CYP1A2 2164/4885CYP3A4 3000/4885CYP2D6 2526/4885

“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.