SCHEMBL1589599

SCHEMBL1589599

Cc1ccccc1-c1ccc(-c2ccccc2C)c(CO)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ESR2 Q92731 1/20 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
SCHEMBL17697641 0.84 PDCD1 (0.52) DPP4DPP8PDCD1CD274BRD4
Ethylene Glycol SCHEMBL23466901 0.80 TSHR (0.47) PDCD1CD274TSHRACHENPC1
SCHEMBL3858794 0.77 PDCD1 (0.53) DPP4PDCD1CD274TSHRACHE
SCHEMBL29876578 0.77 TSHR (0.56) TSHRACHENPC1CASP3RAB9A
SCHEMBL2222213 0.77 TSHR (0.56) TSHRACHENPC1CASP3RAB9A
SCHEMBL30169568 0.77 ACHE (0.64) TSHRACHENPC1CASP3RAB9A
SCHEMBL197690 0.77 ACHE (0.64) TSHRACHENPC1CASP3RAB9A
SCHEMBL30354037 0.77 ACHE (0.64) TSHRACHENPC1CASP3RAB9A
SCHEMBL10088552 0.77 PPARG (0.44) PDCD1CD274TSHRPPARGPPARA
SCHEMBL1589935 0.75 KDM4E (0.50) SMN1; SMN2PPARGPPARAHPGDMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276723-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-01-27 EP disclosed
CN-102026958-B Compounds for electronic devices MERCK PATENT GMBH 2014-08-20 CN disclosed
US-8766001-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-8766001-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-8766001-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-20110092701-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-04-21 US disclosed
US-20110092701-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-04-21 US disclosed
US-20110092701-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-04-21 US disclosed
WO-2009141026-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH, (DE) 2009-11-26 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-20110092701-A1 COMPOUNDS FOR ELECTRONIC DEVICES SLCO4C1, SLCO2A1, TOE1 DPP4 3937/4885DPP8 4201/4885PDCD1 2793/4885

“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.