SCHEMBL12777218

SCHEMBL12777218

Cc1ccc2oc(-c3ccc4ccc5c(-c6ccc(C(C)(C)C)cc6)ccc6ccc3c4c65)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.51
▸ RAB9A P51151 11/20 0.51
▸ ALDH1A1 P00352 11/20 0.51
▸ SMN1; SMN2 Q16637 10/20 0.51
▸ HPGD P15428 10/20 0.51
▸ NPC1 O15118 9/20 0.51
▸ HSD17B10 Q99714 8/20 0.51
▸ TP53 P04637 6/20 0.51
▸ GFER P55789 1/20 0.50
▸ CASP3 P42574 5/20 0.46
▸ SENP7 Q9BQF6 5/20 0.46
▸ SENP6 Q9GZR1 5/20 0.46
▸ SENP8 Q96LD8 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 5/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL12777195 0.93 ALDH1A1 (0.48) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12777214 0.92 NPC1 (0.53) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12777212 0.91 NPC1 (0.47) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12776913 0.91 KDM4E (0.62) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12777020 0.88 RAB9A (0.53) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12777070 0.88 ALDH1A1 (0.45) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12777227 0.87 NPC1 (0.48) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12776925 0.86 HDAC6 (0.42) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12777219 0.86 NPC1 (0.47) RAB9ASMN1; SMN2NPC1TP53GFER
SCHEMBL12777060 0.85 KDM4E (0.58) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD

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-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — 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-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 KDM4E 1639/4885RAB9A 3169/4885ALDH1A1 2046/4885

“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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