SCHEMBL9921094

SCHEMBL9921094

CC(C)(C)c1cc2ccc3c(-c4ccc5ccccc5c4)cc(-n4c5ccccc5c5ccccc54)c4ccc(c1)c2c34

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
GSTP1 P09211 1/20 0.33
AKT1 P31749 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL31236615 0.90 HSD17B10 (0.35) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL2757082 0.88 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9921106 0.86 TUBB4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9920966 0.81 GPR84 (0.35) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL9921099 0.81 GPR84 (0.35) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL9920958 0.81 GPR84 (0.35) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL21234911 0.81 KDM4E (0.38) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL9920878 0.81 KDM4E (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9920853 0.80 PIK3CD (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21234913 0.80 KDM4E (0.37) ALDH1A1MAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463352-B1 Light emitting device material and light emitting device TORAY INDUSTRIES (JP) 2018-05-02 EP disclosed
EP-2463351-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP disclosed
EP-2463352-A2 Light emitting device material and light emitting device Toray Industries, Inc. (JP) 2012-06-13 EP 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
EP-1942171-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP 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-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 TUBB4A 1986/4885TUBB 2170/4885TUBA3C 2465/4885

“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.