SCHEMBL2270616

SCHEMBL2270616

CCCCC(CC)Cc1cc2ccccc2c(C(=O)O)c1CC(CC)CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
TACR3 P29371 2/20 0.41
CA2 P00918 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 2/20 0.37
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36

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
SCHEMBL18143012 0.86 PRSS1 (0.43) ALDH1A1KDM4EGLAMEN1KMT2A
SCHEMBL6573171 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EGLAMEN1KMT2A
SCHEMBL7534153 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EGLAMEN1KMT2A
SCHEMBL5176349 0.80 CYP2D6 (0.37) ALDH1A1KDM4EGLATACR3CA2
SCHEMBL18143014 0.80 PRSS1 (0.44) ALDH1A1KDM4EGLAMEN1KMT2A
SCHEMBL14989261 0.79 ALDH1A1 (0.38) ALDH1A1GLAHSD17B10CA2CYP3A4
SCHEMBL26597329 0.79 KDM4E (0.43) ALDH1A1KDM4EGLAMEN1KMT2A
SCHEMBL29080838 0.78 L3MBTL1 (0.42) ALDH1A1KDM4EGLAMEN1KMT2A
Phthalic Acid SCHEMBL16585575 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EGLAMEN1KMT2A
SCHEMBL2140475 0.77 TSHR (0.37) ALDH1A1KDM4EGLAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635777-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GMBH (DE) 2012-06-06 EP disclosed
US-8003082-B2 Photostable organic sunscreen composition MERCK PATENT GMBH (DE) 2011-08-23 US disclosed
US-20070059258-A1 Photostable organic sunscreen composition MERCK PATENT GMBH (DE) 2007-03-15 US disclosed
US-7166273-B2 Photo stable organic sunscreen compositions EMD CHEMICALS, INC. (US) 2007-01-23 US disclosed
EP-1635777-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GmbH (DE) 2006-03-22 EP disclosed
WO-2004105712-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GMBH (DE) 2004-12-09 WO disclosed
US-20040247536-A1 Photo stable organic sunscreen compositions EMD CHEMICALS, INC. 2004-12-09 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 (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-20070059258-A1 Photostable organic sunscreen composition SUN2, ERCC1, PPOX ALDH1A1 319/4885KDM4E 2519/4885GLA 114/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR ALDH1A1 1036/4885KDM4E 2091/4885GLA 266/4885

“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.