SCHEMBL12370896

SCHEMBL12370896

C=CC(=O)OCCCCOC(=O)c1ccc(OC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)nc(Nc4ccc(O)cc4)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ RNASEL Q05823 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAB9A P51151 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ SLC2A1 P11166 1/20 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
SCHEMBL13512817 0.93 KMT2A (0.43) SMN1; SMN2LMNACYP1A2CYP2D6CYP2C19
SCHEMBL10078031 0.90 LMNA (0.44) SMN1; SMN2TSHRLMNACYP1A2CYP2D6
SCHEMBL12807612 0.88 TSHR (0.56) SMN1; SMN2TSHRESR1LMNACYP1A2
SCHEMBL12370893 0.87 MAPT (0.46) SMN1; SMN2LMNACYP1A2CYP2D6CYP2C19
SCHEMBL14539284 0.86 LMNA (0.40) SMN1; SMN2TSHRLMNACYP1A2CYP2D6
SCHEMBL13512820 0.86 MAPT (0.45) SMN1; SMN2LMNACYP1A2CYP2D6CYP2C19
SCHEMBL22245659 0.82 THRB (0.50) SMN1; SMN2TSHRESR1LMNACYP1A2
SCHEMBL8666203 0.82 THRB (0.50) SMN1; SMN2TSHRESR1LMNACYP1A2
SCHEMBL17301297 0.82 THRB (0.50) SMN1; SMN2TSHRESR1LMNACYP1A2
SCHEMBL14370289 0.82 THRB (0.50) SMN1; SMN2TSHRESR1LMNACYP1A2

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-7989576-B2 Triazine derivative, liquid crystal composition, anisotropic material, and liquid crystal display device using the same FUJIFILM CORPORATION (JP) 2011-08-02 — — US disclosed
US-7989576-B2 Triazine derivative, liquid crystal composition, anisotropic material, and liquid crystal display device using the same FUJIFILM CORPORATION (JP) 2011-08-02 — — US disclosed
US-20090018305-A1 TRIAZINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, ANISOTROPIC MATERIAL, AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME FUJIFILM CORPORATION (JP) 2009-01-15 — — US disclosed
US-20090018305-A1 TRIAZINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, ANISOTROPIC MATERIAL, AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME FUJIFILM CORPORATION (JP) 2009-01-15 — — 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-20090018305-A1 TRIAZINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, ANISOTROPIC MATERIAL, AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME H1-0, H1-2, CHRM1 SMN1; SMN2 3943/4885TSHR 284/4885ESR1 2101/4885

“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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