SCHEMBL12551612

SCHEMBL12551612

Cc1cc(C)cc(Oc2cccc(-c3nc(Cc4nc(-c5cccc(Oc6cc(C)cc(C)c6)c5)nc(-c5cccc(Oc6cc(C)cc(C)c6)c5)n4)nc(-c4cccc(Oc5cc(C)cc(C)c5)c4)n3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 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
SCHEMBL12551608 0.84 MAPK1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL12551442 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL12551606 0.80 RAB9A (0.46) SMN1; SMN2CYP1A2CYP2C9RAB9AMEN1
SCHEMBL12551609 0.76 MAPK1 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL12551532 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL20220270 0.73 MAPK1 (0.55) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL12551603 0.73 HRH4 (0.37) ALDH1A1SMN1; SMN2RAB9AL3MBTL1ADORA2A
SCHEMBL16186449 0.73 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL9486297 0.71 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL22329838 0.71 MAPK1 (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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 ALDH1A1 604/4885SMN1; SMN2 2492/4885CYP1A2 1249/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 ALDH1A1 604/4885SMN1; SMN2 2492/4885CYP1A2 1249/4885

“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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