SCHEMBL490468

SCHEMBL490468

CCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)nc(Nc3ccc(C(=O)NC(C)(C)C)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
CYP3A4 P08684 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
CA2 P00918 1/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
CFTR P13569 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PDPK1 O15530 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
Iscotrizinol SCHEMBL275583 0.96 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4HSD17B10MAPK1
SCHEMBL19823693 0.93 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4HSD17B10MAPK1
SCHEMBL19823694 0.93 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4HSD17B10MAPK1
SCHEMBL14986219 0.92 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4HSD17B10MAPK1
SCHEMBL19809122 0.92 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4HSD17B10MAPK1
SCHEMBL13492208 0.92 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4HSD17B10MAPK1
SCHEMBL15344215 0.91 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4HSD17B10MAPK1
SCHEMBL2969474 0.91 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4HSD17B10MAPK1
SCHEMBL12186622 0.90 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4HSD17B10MAPK1
SCHEMBL17576042 0.88 MEN1 (0.50) ALDH1A1LMNACYP3A4HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113573691-A Effective sunscreen composition with diethylamino hydroxybenzoyl hexyl benzoate and butyl methoxy dibenzoyl methane 巴斯夫欧洲公司 2021-10-29 CN claimed
CN-113573690-A Effective sunscreen composition with diethylamino hydroxybenzoyl hexyl benzoate and butyl methoxy dibenzoyl methane and without octocrylene 巴斯夫欧洲公司 2021-10-29 CN claimed
EP-2259768-B1 COMPOSITIONS CONTAINING CYCLIC PEPTIDES AND METHODS OF USE MERCK PATENT GMBH (DE) 2019-05-22 EP disclosed
US-10278911-B2 Compositions containing cyclic peptides and methods of use MERCK PATENT GMBH (DE) 2019-05-07 US disclosed
US-9700501-B2 Use of indole compounds as a cosmetic MERCK PATENT GMBH (DE) 2017-07-11 US disclosed
US-9603784-B2 Process for treating sol-gel capsules MERCK PATENT GMBH (DE) 2017-03-28 US disclosed
EP-2309974-B1 USE OF 5-(7-METHOXY-3,3-DIMETHYL-2,3-DIHYDRO-1-BENZOXEPIN-5-YL)-3-METHYL-PENTA-2,4-DIENOIC MERCK PATENT GMBH (DE) 2016-08-31 EP disclosed
EP-2306965-B1 USE OF INDOLE COMPOUNDS AS A COSMETIC MERCK PATENT GMBH (DE) 2015-12-02 EP disclosed
US-20150265516-A1 COMPOSITIONS CONTAINING CYCLIC PEPTIDES AND METHODS OF USE MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-9044409-B2 Use of chromen-4-one derivatives MERCK PATENT GMBH (DE) 2015-06-02 US disclosed
US-9023889-B2 Use of ascorbic acid derivatives for the functionalization of matrices MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20050019426-A1 For care, protection from aging of skin and hair, use in treatment of various skin disorders such as leukoplakia, eczema, keratosis, psoriasis, or to promote wound healing MERCK PATENT GMBH (DE) 2005-01-27 US disclosed
US-20040185072-A1 Includes 1,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid derivative to enhance storage stability; self-tanning MERCK PATENT GESELLSCHAFT (DE) 2004-09-23 US disclosed
US-20040102446-A1 Tricyclic quinoxaline derivatives as a uv filter MERCK PATENT GMBH (DE) 2004-05-27 US disclosed
US-20040091433-A1 Light-protection agents MERCK PATENT GMBH (DE) 2004-05-13 US disclosed
US-20040081675-A1 Cosmetic formulations containing flavonoid derivatives MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
US-20040067894-A1 Preparation having antioxidant properties MERCK PATENT GMBH (DE) 2004-04-08 US disclosed
US-20030207886-A1 Preparation containing quinoxaline derivatives MERCK PATENT GMBH (DE) 2003-11-06 US disclosed
US-20030060426-A1 Formulation for protection against oxidative stress containing benzofuranone derivatives MERCK PATENT GMBH (DE) 2003-03-27 US disclosed
US-20030039619-A1 Galenic formulation MERCK PATENT GMBH (DE) 2003-02-27 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 (11 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-20040091433-A1 Light-protection agents CBR1, CYC1, C9 ALDH1A1 271/4885LMNA 126/4885CYP3A4 1079/4885
US-20150265516-A1 COMPOSITIONS CONTAINING CYCLIC PEPTIDES AND METHODS OF USE CUTA, NGLY1, CALCA ALDH1A1 4788/4885LMNA 2042/4885CYP3A4 4882/4885
US-20040067894-A1 Preparation having antioxidant properties GPX1, CBR1, CYC1 ALDH1A1 233/4885LMNA 651/4885CYP3A4 1760/4885
US-20040185072-A1 Includes 1,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid derivative to enhance storage stability; self-tanning DHODH, DPYD, ALDH1A1 ALDH1A1 3/4885LMNA 2839/4885CYP3A4 542/4885
US-20030060426-A1 Formulation for protection against oxidative stress containing benzofuranone derivatives NQO1, NFE2L2, GPX4 ALDH1A1 87/4885LMNA 824/4885CYP3A4 415/4885
US-20030039619-A1 Galenic formulation GALR2, GALE, GLA ALDH1A1 408/4885LMNA 169/4885CYP3A4 1320/4885
US-20040102446-A1 Tricyclic quinoxaline derivatives as a uv filter CUTA, CYP1B1, TPH1 ALDH1A1 289/4885LMNA 851/4885CYP3A4 116/4885
US-20040081675-A1 Cosmetic formulations containing flavonoid derivatives TYR, MITF, TEAD3 ALDH1A1 1603/4885LMNA 1817/4885CYP3A4 363/4885
US-10278911-B2 Compositions containing cyclic peptides and methods of use CUTA, NGLY1, CALCA ALDH1A1 4788/4885LMNA 2042/4885CYP3A4 4882/4885
US-20050019426-A1 For care, protection from aging of skin and hair, use in treatment of various skin disorders such as leukoplakia, eczema, keratosis, psoriasis, or to promote wound healing ITCH, CUTA, POLR1C ALDH1A1 1876/4885LMNA 256/4885CYP3A4 4025/4885
US-20030207886-A1 Preparation containing quinoxaline derivatives CUTA, XPA, NQO2 ALDH1A1 1898/4885LMNA 488/4885CYP3A4 218/4885

“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.