SCHEMBL14948211

SCHEMBL14948211

CC(C)(C)c1c2ccccc2c(-c2ccc(Br)cc2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PTGS2 P35354 3/20 0.38
▸ ACHE P22303 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP1A1 P04798 2/20 0.33
▸ CYP1B1 Q16678 2/20 0.33
▸ TNKS O95271 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL18473339 0.84 ACHE (0.47) MAPK1ALDH1A1ACHEKDM4EL3MBTL1
SCHEMBL1665653 0.83 ALDH1A1 (0.57) MAPK1ALDH1A1PTGS2ACHEKDM4E
SCHEMBL29696841 0.83 ALDH1A1 (0.57) MAPK1ALDH1A1PTGS2ACHEKDM4E
SCHEMBL16489400 0.83 PRNP (0.39) MAPK1ALDH1A1PTGS2ACHEKDM4E
SCHEMBL21577244 0.81 ALDH1A1 (0.62) MAPK1ALDH1A1PTGS2ACHEKDM4E
SCHEMBL30114969 0.79 MAPK1 (0.67) MAPK1ALDH1A1PTGS2ACHEKDM4E
SCHEMBL261051 0.79 MAPK1 (0.67) MAPK1ALDH1A1PTGS2ACHEKDM4E
SCHEMBL586251 0.79 KIF11 (0.47) MAPK1ALDH1A1PTGS2KDM4EL3MBTL1
SCHEMBL29511820 0.79 KIF11 (0.47) MAPK1ALDH1A1PTGS2KDM4EL3MBTL1
SCHEMBL16489393 0.78 CYP2A6 (0.43) PTGS2CYP1A2CYP1A1CYP1B1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9288869-B2 Styryl-based compound, composition containing styryl-based compound, and organic light emitting diode including styryl-based compound SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-15 — — US disclosed
US-20130119355-A1 STYRYL-BASED COMPOUND, COMPOSITION CONTAINING STYRYL-BASED COMPOUND, AND ORGANIC LIGHT EMITTING DIODE INCLUDING STYRYL-BASED COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2013-05-16 — — US disclosed
US-20130119355-A1 STYRYL-BASED COMPOUND, COMPOSITION CONTAINING STYRYL-BASED COMPOUND, AND ORGANIC LIGHT EMITTING DIODE INCLUDING STYRYL-BASED COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2013-05-16 — — 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-20130119355-A1 STYRYL-BASED COMPOUND, COMPOSITION CONTAINING STYRYL-BASED COMPOUND, AND ORGANIC LIGHT EMITTING DIODE INCLUDING STYRYL-BASED COMPOUND OCIAD1, MAP1LC3B, ELOVL1 MAPK1 724/4885ALDH1A1 87/4885PTGS2 3105/4885

“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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