SCHEMBL2606571

SCHEMBL2606571

CC1(C)c2cc(-c3csc4ccccc34)ccc2-c2ccc3c(c21)C(C)(C)c1cccc2cccc-3c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.39
HDAC2 Q92769 1/20 0.36
AVPR2 P30518 2/20 0.33
AVPR1A P37288 2/20 0.33
MAOB P27338 5/20 0.33
PRKDC P78527 1/20 0.32
APP P05067 2/20 0.31
PTGER2 P43116 1/20 0.31
CYP2C9 P11712 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PDK2 Q15119 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL11914391 0.76 ERN1 (0.39) ERN1HDAC2AVPR2AVPR1AMAOB
SCHEMBL11914294 0.75 ERN1 (0.39) ERN1HDAC2AVPR2AVPR1AMAOB
SCHEMBL11914355 0.75 HDAC2 (0.35) ERN1HDAC2AVPR2AVPR1AMAOB
SCHEMBL11914351 0.74 PDK2 (0.37) PDK2
SCHEMBL14725783 0.74 APP (0.34) ERN1AVPR2AVPR1APRKDCAPP
SCHEMBL11914285 0.73 ERN1 (0.41) ERN1HDAC2AVPR2AVPR1AMAOB
SCHEMBL16802028 0.72 ERN1 (0.34) ERN1HDAC2AVPR2AVPR1APRKDC
SCHEMBL14178310 0.71 ERN1 (0.39) ERN1HDAC2AVPR2AVPR1AMAOB
SCHEMBL11914404 0.70 KDM1A (0.35) ERN1HDAC2AVPR2AVPR1AMAOB
SCHEMBL13507994 0.70 ALOX5 (0.36) PDK2

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
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 US disclosed
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 US disclosed
EP-2038370-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-25 EP disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 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 (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-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SLC26A3, SLCO4C1 ERN1 2386/4885HDAC2 4169/4885AVPR2 2030/4885

“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.