SCHEMBL11914404

SCHEMBL11914404

CC1(C)c2cc(-c3csc4ccccc34)ccc2-c2cc3c(cc21)-c1c(c2cccnc2c2ncccc12)C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
TGFBR1 P36897 1/20 0.35
ERN1 O75460 2/20 0.35
PTGER2 P43116 5/20 0.35
HDAC2 Q92769 1/20 0.33
MAOB P27338 3/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 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 0.86 ERN1 (0.39) KDM1ATGFBR1ERN1PTGER2HDAC2
SCHEMBL11914285 0.80 ERN1 (0.41) KDM1ATGFBR1ERN1PTGER2HDAC2
SCHEMBL11914294 0.77 ERN1 (0.39) KDM1ATGFBR1ERN1PTGER2HDAC2
SCHEMBL16547062 0.73 ALOX5 (0.45)
SCHEMBL11914323 0.72 CCR1 (0.41) CYP11B1AVPR2AVPR1A
SCHEMBL1102909 0.72 PDK2 (0.36)
SCHEMBL16547006 0.71 ENPP1 (0.36) AVPR2AVPR1AACVR1
SCHEMBL16546974 0.71 BACE1 (0.40) AVPR2AVPR1A
SCHEMBL16547042 0.71 COMT (0.33)
SCHEMBL16547071 0.71 ALOX5 (0.42)

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 4 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
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 KDM1A 3601/4885TGFBR1 4056/4885ERN1 2386/4885

“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.