SCHEMBL592159

SCHEMBL592159

CC1(C)c2ccc3cccc4c3c2-c2c(ccc3cccc1c23)C4(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 5/20 0.42
HPGD P15428 4/20 0.42
TSHR P16473 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TYMS P04818 1/20 0.41
RAD52 P43351 1/20 0.38
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
NSD2 O96028 1/20 0.36
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36
THRB P10828 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CRHBP P24387 1/20 0.32

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
SCHEMBL10299007 0.86 TYMS (0.33) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL31395712 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL12602783 0.85 TYMS (0.32) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL31413671 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL31413670 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL10028212 0.81 MEN1 (0.42) TYMSMEN1KMT2A
SCHEMBL12602701 0.79 L3MBTL1 (0.37) ALDH1A1HSD17B10HPGDCYP1A2KDM4E
SCHEMBL24744175 0.76 PDK2 (0.41) ALDH1A1HSD17B10HPGDTSHRTYMS
SCHEMBL12602715 0.76
SCHEMBL19498769 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046915-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-02 EP disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
EP-2046915-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-04-15 EP disclosed
WO-2008011964-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-31 WO 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 ALDH1A1 220/4885HSD17B10 2763/4885HPGD 2997/4885

“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.