SCHEMBL12551592

SCHEMBL12551592

c1ccc(-c2ccccc2-c2nc(Cc3nc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)nc(-c3ccccc3-c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 1/20 0.44
▸ TSHR P16473 3/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ DCUN1D1 Q96GG9 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ DCUN1D2 Q6PH85 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37

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
SCHEMBL336961 0.87 GPR55 (0.54) GPR55TSHRABCG2ADORA3ALOX15
SCHEMBL12551672 0.84 GPR55 (0.37) GPR55TSHRABCG2ADORA3ALOX15
SCHEMBL24795574 0.84 GPR55 (0.42) GPR55TSHRABCG2ADORA3ALOX15
SCHEMBL12551591 0.82 L3MBTL1 (0.56) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL21922946 0.82 L3MBTL1 (0.56) GPR55TSHRABCG2ADORA3ALOX15
SCHEMBL12854006 0.80 L3MBTL1 (0.54) GPR55TSHRABCG2ADORA3ALOX15
SCHEMBL17720964 0.80 L3MBTL1 (0.54) GPR55TSHRABCG2ADORA3ALOX15
SCHEMBL17720965 0.78 L3MBTL1 (0.52) GPR55TSHRABCG2ADORA3ALOX15
SCHEMBL24689432 0.78 L3MBTL1 (0.52) GPR55TSHRABCG2ADORA3ALOX15
SCHEMBL31290117 0.78 L3MBTL1 (0.52) GPR55TSHRABCG2ADORA3ALOX15

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-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
EP-2307520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-11 — — EP disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — 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 (2 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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 GPR55 4270/4885TSHR 4342/4885ABCG2 1621/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 GPR55 4270/4885TSHR 4342/4885ABCG2 1621/4885

“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.

Send feedback