SCHEMBL5711604

SCHEMBL5711604

CCCCCCCC(Cl)CCC(O)C(=NO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.39
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
NAAA Q02083 2/20 0.35
PRSS1 P07477 3/20 0.35
CTSG P08311 2/20 0.35
CTRB1 P17538 2/20 0.35
CMA1 P23946 2/20 0.35
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
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
SCHEMBL11587804 0.89 GPR84 (0.44) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL28204364 0.89 GPR84 (0.44) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL490946 0.85 ACE2 (0.43) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL5706448 0.82 MEN1 (0.33)
SCHEMBL5706444 0.81 CSNK1E (0.40) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL5711544 0.81 MMP2 (0.45) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL5706433 0.78 MEN1 (0.38) ALDH1A1
SCHEMBL7597024 0.77 CES2 (0.41) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL8903692 0.77 CES2 (0.41) CSNK1ECES2CES1NAAAPRSS1
SCHEMBL2279350 0.76 CSNK1E (0.41) CSNK1ECES2CES1NAAAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566175-B1 Topical preparation comprising at least one aryloxime and bisabolol MERCK PATENT GMBH (DE) 2006-10-25 EP claimed
US-20050249761-A1 Topical composition comprising at least one aryl oxime and bisabolol MERCK PATENT GESELLSCHAFT MIT BECHRANKTER HAFTUNG (DE) 2005-11-10 US claimed
EP-0149242-B1 1-(2-HYDROXYARYL)-ALCAN-1-ONE OXIME, PREPARATION AND PHARMACEUTICAL USE CHEMISCHE UND PHARMAZEUTISCHE FABRIKEN FAHLBERG-LIST GmbH (DE) 1990-10-31 EP claimed
US-4816487-A ANTIALLERGENS HUMBOLDT-UNIVERSITAET ZU BERLIN (DD) 1989-03-28 US claimed
US-20050249761-A1 Topical composition comprising at least one aryl oxime and bisabolol MERCK PATENT GESELLSCHAFT MIT BECHRANKTER HAFTUNG (DE) 2005-11-10 US disclosed
US-20030187034-A1 Composition containing at least one aryl oxime and at least one active substance for treating acne and the use thereof MERCK PATENT GMBH (DE) 2003-10-02 US disclosed
US-20030176470-A1 Topical composition containing at least one aryl oxime, and method for the preparation thereof MERCK PATENT GMBH (DE) 2003-09-18 US disclosed
US-20030157037-A1 Use of aryl oximes for the prophylaxis and/or treatment of erythema formation and/or inflammatory reaction of the skin MERCK PATENT GMBH (DE) 2003-08-21 US disclosed
EP-0149242-B1 1-(2-HYDROXYARYL)-ALCAN-1-ONE OXIME, PREPARATION AND PHARMACEUTICAL USE CHEMISCHE UND PHARMAZEUTISCHE FABRIKEN FAHLBERG-LIST GmbH (DE) 1990-10-31 EP disclosed
US-4816487-A ANTIALLERGENS HUMBOLDT-UNIVERSITAET ZU BERLIN (DD) 1989-03-28 US disclosed
EP-0149242-A2 1-(2-Hydroxyaryl)-alcan-1-one oxime, preparation and pharmaceutical use CHEMISCHE UND PHARMAZEUTISCHE FABRIKEN FAHLBERG-LIST GmbH (DE) 1985-07-24 EP 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 (4 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-20030157037-A1 Use of aryl oximes for the prophylaxis and/or treatment of erythema formation and/or inflammatory reaction of the skin CYP8B1, CBR3, CYP2C8 CSNK1E 565/4885CES2 164/4885CES1 114/4885
US-20030187034-A1 Composition containing at least one aryl oxime and at least one active substance for treating acne and the use thereof CYP8B1, ACOX3, ACOX1 CSNK1E 299/4885CES2 195/4885CES1 244/4885
US-20030176470-A1 Topical composition containing at least one aryl oxime, and method for the preparation thereof MGLL, LIPA, GLO1 CSNK1E 561/4885CES2 580/4885CES1 420/4885
US-20050249761-A1 Topical composition comprising at least one aryl oxime and bisabolol TYR, CYP1B1, AHR CSNK1E 1692/4885CES2 147/4885CES1 186/4885

“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.