SCHEMBL13380677

SCHEMBL13380677

Cc1ccc(N(c2ccc(/C=C/c3ccc4cc(N(c5ccc(C)cc5)c5ccc(C(C)(C)C)cc5)ccc4c3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
NFE2L2 Q16236 5/20 0.40
APP P05067 2/20 0.37
CYP1A2 P05177 1/20 0.37
RELA Q04206 2/20 0.37
HCRTR2 O43614 1/20 0.36
ALOX5 P09917 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 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
SCHEMBL13380680 0.94 CYP1A2 (0.41) PTGS1APPCYP1A2RELAMAPT
SCHEMBL13380670 0.89 NFE2L2 (0.46) PTGS1PTGS2NFE2L2APPCYP1A2
SCHEMBL13358040 0.89 RELA (0.43) TSHRPTGS1PTGS2NFE2L2APP
SCHEMBL14506941 0.88 NFE2L2 (0.43) PTGS1PTGS2NFE2L2APPCYP1A2
SCHEMBL17430702 0.88 TSHR (0.56) TSHRCYP1A2HCRTR2MAPTALDH1A1
SCHEMBL14424330 0.88 TSHR (0.56) TSHRPTGS1PTGS2NFE2L2CYP1A2
SCHEMBL13636796 0.88 TSHR (0.56) TSHRPTGS1PTGS2NFE2L2CYP1A2
SCHEMBL13636804 0.88 TSHR (0.56) TSHRPTGS1PTGS2NFE2L2CYP1A2
SCHEMBL9604060 0.88 TSHR (0.56) TSHRPTGS1PTGS2NFE2L2CYP1A2
SCHEMBL17933164 0.87 RELA (0.49) PTGS1APPRELAMAPTALDH1A1

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 5 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
WO-2008091130-A1 ASYMMETRIC STYRYL DERIVATIVES AND ORGANIC LIGHT EMITTING DIODE PREPARED USING THE SAME DOOSAN CORPORATION (KR) 2008-07-31 WO 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 TSHR 3753/4885PTGS1 3475/4885PTGS2 3998/4885

“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.