SCHEMBL563306

SCHEMBL563306

CCOC(=O)CC(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
ALDH1A1 P00352 5/20 0.53
TSHR P16473 3/20 0.53
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MMP8 P22894 1/20 0.49
F2 P00734 1/20 0.48
FFAR1 O14842 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
F10 P00742 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL13572924 1.00 LTB4R (0.54) LTB4RLTB4R2ALDH1A1TSHRHPGD
SCHEMBL23027267 1.00 LTB4R (0.54) LTB4RLTB4R2ALDH1A1TSHRHPGD
SCHEMBL20573131 0.89 NPC1 (0.52) LTB4RLTB4R2ALDH1A1TSHRHPGD
SCHEMBL28115672 0.87 ALDH1A1 (0.51) LTB4RLTB4R2ALDH1A1HPGDRAB9A
SCHEMBL12883167 0.86 ACHE (0.59) LTB4RLTB4R2ALDH1A1TSHRMEN1
SCHEMBL21199753 0.86 ALDH1A1 (0.50) LTB4RLTB4R2ALDH1A1TSHRHPGD
SCHEMBL12883163 0.86 ACHE (0.59) LTB4RLTB4R2ALDH1A1TSHRMEN1
SCHEMBL12883164 0.86 ACHE (0.59) LTB4RLTB4R2ALDH1A1TSHRMEN1
SCHEMBL5828002 0.85 ALDH1A1 (0.48) LTB4RLTB4R2ALDH1A1TSHRHPGD
SCHEMBL7178642 0.85 ALDH1A1 (0.55) ALDH1A1TSHRHPGDNPC1SMN1; SMN2

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118217-A1 Agonists for Antimicrobial Peptide Systems AKTHELIA PHARMACEUTICALS (IS) 2011-05-19 US claimed
EP-2237684-A2 AGONISTS FOR ANTIMICROBIAL PEPTIDE SYSTEMS Akthelia Pharmaceuticals (IS) 2010-10-13 EP claimed
WO-2009087474-A2 AGONISTS FOR ANTIMICROBIAL PEPTIDE SYSTEMS AKTHELIA PHARMACEUTICALS (IS) 2009-07-16 WO claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
EP-4419065-A1 FRAGRANCING COMPLEX, FRAGRANCING COMPOSITION AND FRAGRANCED AQUEOUS COMPOSITION OF NATURAL ORIGIN Expressions Parfumees (FR) 2024-08-28 EP disclosed
CN-118146163-A Benzimidazole derivative and preparation method thereof 雅安职业技术学院 2024-06-07 CN disclosed
WO-2023170261-A1 READY-FOR-USE MILKY, VISCOUS AND STICKY PERFUME COMPLEX AND ASSOCIATED PERFUMED COMPOSITION EXPRESSIONS PARFUMEES (FR) 2023-09-14 WO disclosed
WO-2023067179-A1 FRAGRANCING COMPLEX, FRAGRANCING COMPOSITION AND FRAGRANCED AQUEOUS COMPOSITION OF NATURAL ORIGIN EXPRESSIONS PARFUMEES (FR) 2023-04-27 WO disclosed
CN-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed
CN-111217694-B Method for selectively reducing carbon-carbon double bond in alpha, beta-unsaturated carbonyl compound 五邑大学 2022-09-30 CN disclosed
CN-109071446-B Organic reaction in aqueous solution in the presence of hydroxyalkyl (alkyl) cellulose or alkylcellulose 艾伯维德国有限责任两合公司 2022-06-21 CN disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO disclosed
CN-1044249-C Matrix metalloprotease inhibitors SYNTEX INC (US) 1999-07-21 CN disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed
US-5683997-A MODULATION OF AT2 RECEPTOR CIBA-GEIGY CORPORATION (US) 1997-11-04 US disclosed
CN-1134153-A Matrix metalloprotease inhibitors SYNTEX INC (US) 1996-10-23 CN disclosed
CN-1123544-A Optically active 3-(1-(alkylamino)) alkyl pyrrolidines UPJOHN CO (US) 1996-05-29 CN 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 (2 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-20110118217-A1 Agonists for Antimicrobial Peptide Systems VIP, GLP1R, MAVS LTB4R 583/4885LTB4R2 527/4885ALDH1A1 3865/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL LTB4R 559/4885LTB4R2 1204/4885ALDH1A1 1595/4885

“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.