SCHEMBL13380680

SCHEMBL13380680

CC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccc4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4c3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
RELA Q04206 2/20 0.41
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NQO2 P16083 3/20 0.35
APP P05067 3/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TRPV1 Q8NER1 4/20 0.33
PTGS1 P23219 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
PPARA Q07869 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
SCHEMBL13380677 0.94 TSHR (0.43) CYP1A2RELAALDH1A1GLAMAPT
SCHEMBL17933164 0.92 RELA (0.49) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL12292313 0.91 RELA (0.46) CYP1A2RELAALDH1A1GLAMAPT
SCHEMBL13380678 0.90 PTGS1 (0.38) CYP1A2RELAALDH1A1GLAMAPT
SCHEMBL17933167 0.89 RELA (0.41) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL13358339 0.88 RELA (0.47) CYP1A2RELAALDH1A1GLAMAPT
SCHEMBL13358676 0.88 RELA (0.47) CYP1A2RELAALDH1A1GLAMAPT
SCHEMBL13358424 0.88 RELA (0.47) CYP1A2RELAALDH1A1GLAMAPT
SCHEMBL13358645 0.88 RELA (0.47) CYP1A2RELAALDH1A1GLAMAPT
SCHEMBL13358266 0.88 RELA (0.47) CYP1A2RELAALDH1A1GLAMAPT

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-8476474-B2 Asymmetric styryl derivatives and organic light emitting diode prepared using the same DOOSAN CORPORATION (KR) 2013-07-02 US disclosed
US-8476474-B2 Asymmetric styryl derivatives and organic light emitting diode prepared using the same DOOSAN CORPORATION (KR) 2013-07-02 US disclosed
US-20100081846-A1 ASYMMETRIC STYRYL DERIVATIVES AND ORGANIC LIGHT EMITTING DIODE PREPARED USING THE SAME DOOSAN CORPORATION (KR) 2010-04-01 US disclosed
US-20100081846-A1 ASYMMETRIC STYRYL DERIVATIVES AND ORGANIC LIGHT EMITTING DIODE PREPARED USING THE SAME DOOSAN CORPORATION (KR) 2010-04-01 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-20100081846-A1 ASYMMETRIC STYRYL DERIVATIVES AND ORGANIC LIGHT EMITTING DIODE PREPARED USING THE SAME ELOVL1, EML4, ACSL1 CYP1A2 820/4885RELA 589/4885ALDH1A1 19/4885

“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.