SCHEMBL12776997

SCHEMBL12776997

Cc1ccc(-c2ccc3ccc4c(-c5ccc(C)cc5)cc(-c5nc6cc(-c7ccc(F)cc7)ccc6o5)c5ccc2c3c45)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ TP53 P04637 4/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ MAPT P10636 4/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HPSE Q9Y251 4/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ SENP8 Q96LD8 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
SCHEMBL12777201 0.95 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL20107154 0.94 ALDH1A1 (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL12380351 0.94 ALDH1A1 (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL12777047 0.91 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL12777066 0.90 HDAC6 (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL12776995 0.90 HDAC6 (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL12777060 0.89 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL2757080 0.89 NPC1 (0.45) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL12777115 0.89 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL12777147 0.87 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 — — US disclosed
US-20140061629-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2014-03-06 — — US disclosed
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-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 — — US disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 — — 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 (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-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 KDM4E 2433/4885SMN1; SMN2 4211/4885ALDH1A1 1929/4885
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 KDM4E 1639/4885SMN1; SMN2 1165/4885ALDH1A1 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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