SCHEMBL16502126

SCHEMBL16502126

Cc1ccc(N2c3ccc(-c4ccc5ccccc5c4)cc3Oc3cc(-c4cccc5ccccc45)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ MET P08581 1/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ PIM1 P11309 2/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34

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
SCHEMBL16502134 0.94 ALDH1A1 (0.40) ALDH1A1MAOAMAOBFLT3ENPP3
SCHEMBL16502133 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL16502148 0.86 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL16502145 0.84 MET (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL16502127 0.81 MEN1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL17206598 0.80 PDE6D (0.43) ALDH1A1CYP1A2CYP2C9HPGDTSHR
SCHEMBL17206602 0.79 CA12 (0.40) CYP1A2CYP2C9SMN1; SMN2ENPP3ENPP1
SCHEMBL18083602 0.79 MAOA (0.41) ALDH1A1CYP1A2MAOAMAOBFLT3
SCHEMBL23220417 0.79 HSP90AA1 (0.45) ALDH1A1CYP1A2SMN1; SMN2CA1CA2
SCHEMBL13326577 0.78 ALOX5 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110309341-A1 AMINE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMATION CO., LTD. (JP) 2011-12-22 — — US disclosed
US-20110309341-A1 AMINE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMATION CO., LTD. (JP) 2011-12-22 — — 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-20110309341-A1 AMINE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME AHR, HRH3, HRH4 ALDH1A1 431/4885CYP1A2 287/4885CYP3A4 777/4885

“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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