SCHEMBL3678817

SCHEMBL3678817

Cc1c(C)c(C)c(-c2ccc3ccccc3c2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.51
CYP2A6 P11509 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GSTP1 P09211 1/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
ALOX5 P09917 1/20 0.47
CYP1A2 P05177 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL21903486 0.82 IKBKB (0.45) IKBKBCYP2A6TDP1GSTP1ESR1
SCHEMBL1133224 0.80 CYP2A6 (0.54) IKBKBCYP2A6TDP1GSTP1ESR1
SCHEMBL1133131 0.80 IKBKB (0.54) IKBKBCYP2A6TDP1GSTP1ESR1
SCHEMBL28233058 0.79 IKBKB (0.46) IKBKBCYP2A6TDP1GSTP1ESR1
SCHEMBL260950 0.78 IKBKB (0.49) IKBKBCYP2A6TDP1GSTP1ESR1
SCHEMBL29416662 0.78 IKBKB (0.49) IKBKBCYP2A6TDP1GSTP1ESR1
SCHEMBL5013872 0.77 ESR1 (0.71) CYP2A6TDP1GSTP1ESR1ESR2
SCHEMBL30239993 0.77 ESR1 (0.71) CYP2A6TDP1GSTP1ESR1ESR2
SCHEMBL15902840 0.77 ESR1 (0.71) CYP2A6TDP1GSTP1ESR1ESR2
SCHEMBL239121 0.77 ESR1 (0.71) CYP2A6TDP1GSTP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831326-B1 ELECTROLUMINESCENT POLYMERS AND THEIR USE MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
EP-1831326-B1 ELECTROLUMINESCENT POLYMERS AND THEIR USE MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
US-20100108989-A1 ELECTROLUMINESCENT POLYMERS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-05-06 US disclosed
CN-101080477-A Electroluminescent polymers and their use MERCK PATENT GMBH (DE) 2007-11-28 CN disclosed
EP-1831326-A1 ELECTROLUMINESCENT POLYMERS AND USE THEREOF Merck Patent GmbH (DE) 2007-09-12 EP disclosed
WO-2006063852-A1 ELECTROLUMINESCENT POLYMERS AND USE THEREOF MERCK PATENT GMBH (DE) 2006-06-22 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-20100108989-A1 ELECTROLUMINESCENT POLYMERS AND USE THEREOF MAP1LC3C, EPCAM, MAP1LC3A IKBKB 4844/4885CYP2A6 4141/4885TDP1 1111/4885

“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.