SCHEMBL12777070

SCHEMBL12777070

Cc1ccc(-c2ccc3ccc4c(-c5ccc(C)cc5)cc(-c5nc6cc(C(C)(C)C)ccc6o5)c5ccc2c3c45)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.45
▸ KDM4E B2RXH2 8/20 0.45
▸ SMN1; SMN2 Q16637 8/20 0.45
▸ HPGD P15428 8/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ NPC1 O15118 6/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ TP53 P04637 4/20 0.45
▸ GFER P55789 1/20 0.45
▸ MAPT P10636 6/20 0.42
▸ NFKB1 P19838 3/20 0.42
▸ NFKB2 Q00653 3/20 0.42
▸ RELA Q04206 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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 0.95 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL12777010 0.94 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL12777060 0.89 KDM4E (0.58) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL12777214 0.89 NPC1 (0.53) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL12777017 0.89 NPC1 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL12777077 0.89 NPC1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL12777218 0.88 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL12844652 0.88 NPC1 (0.42) RAB9ANPC1GFERHDAC3HDAC1
SCHEMBL12777020 0.88 RAB9A (0.53) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL20107154 0.88 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; 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 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 ALDH1A1 2046/4885KDM4E 1639/4885SMN1; 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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