SCHEMBL12551609

SCHEMBL12551609

c1ccc(Oc2cc(Oc3ccccc3)cc(-c3nc(Cc4nc(-c5cc(Oc6ccccc6)cc(Oc6ccccc6)c5)nc(-c5cc(Oc6ccccc6)cc(Oc6ccccc6)c5)n4)nc(-c4cc(Oc5ccccc5)cc(Oc5ccccc5)c4)n3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL12551608 0.88 MAPK1 (0.46) MAPK1TDP1MEN1KMT2ACYP1A2
SCHEMBL12551610 0.86 MAPK1 (0.46) MAPK1TDP1MEN1KMT2ANPC1
SCHEMBL12551436 0.77 SRD5A2 (0.45) MAPK1TDP1MEN1KMT2ANPC1
SCHEMBL12551612 0.76 ALDH1A1 (0.44) MAPK1MEN1KMT2ARAB9ACYP1A2
SCHEMBL12551595 0.76 L3MBTL1 (0.43) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL12551591 0.75 L3MBTL1 (0.56) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL24917162 0.74 LTA4H (0.67) MEN1KMT2ANPC1RAB9ANLRP3
SCHEMBL12551611 0.72 NCOA1 (0.45) MAPK1TDP1KMT2ACYP1A2CYP2C19
SCHEMBL20220270 0.72 MAPK1 (0.55) MAPK1TDP1MEN1KMT2ANPC1
SCHEMBL11745259 0.72 LTA4H (0.80) MEN1KMT2ANPC1RAB9ANLRP3

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-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
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 MAPK1 474/4885TDP1 2195/4885MEN1 327/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 MAPK1 474/4885TDP1 2195/4885MEN1 327/4885

“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.

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