SCHEMBL12777005

SCHEMBL12777005

Cc1ccc(-c2cc(-c3ccc(C)cc3)c3ccc4c(-c5nc6cc(C)ccc6o5)cc(-c5ccc(C)cc5)c5ccc2c3c54)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.66
▸ ALDH1A1 P00352 13/20 0.66
▸ SMN1; SMN2 Q16637 12/20 0.66
▸ HPGD P15428 11/20 0.66
▸ RAB9A P51151 11/20 0.66
▸ NPC1 O15118 9/20 0.66
▸ HSD17B10 Q99714 9/20 0.66
▸ TP53 P04637 7/20 0.66
▸ CASP3 P42574 5/20 0.55
▸ SENP7 Q9BQF6 5/20 0.55
▸ SENP6 Q9GZR1 5/20 0.55
▸ SENP8 Q96LD8 4/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPT P10636 6/20 0.52
▸ NFKB1 P19838 5/20 0.52
▸ NFKB2 Q00653 5/20 0.52
▸ RELA Q04206 5/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALOX5 P09917 1/20 0.51

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
SCHEMBL12777060 0.94 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12777020 0.90 RAB9A (0.53) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12777003 0.89 NPC1 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12776974 0.88 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12776918 0.88 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL20107154 0.87 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12777010 0.87 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12776913 0.86 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12777024 0.85 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12380351 0.84 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A

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 2 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-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 1639/4885ALDH1A1 2046/4885SMN1; SMN2 1165/4885

“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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