SCHEMBL16019045

SCHEMBL16019045

COc1ccc(COc2ccc(CNCCN)cc2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ SLC2A1 P11166 1/20 0.51
▸ CHRM2 P08172 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ PLK1 P53350 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTR1A P08908 2/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47

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
SCHEMBL17481408 0.86 SLC2A1 (0.53) BCHEKDM4EHTTKMT2ALMNA
SCHEMBL10702781 0.85 SLC2A1 (0.69) BCHEKDM4EHTTKMT2ALMNA
SCHEMBL17481406 0.83 SLC2A1 (0.53) BCHEKDM4EHTTKMT2ALMNA
SCHEMBL17481417 0.81 SLC2A1 (0.51) BCHEKDM4EHTTKMT2ALMNA
SCHEMBL4908769 0.81 CHRM2 (0.73) BCHEKDM4EHTTKMT2ALMNA
SCHEMBL10437146 0.79 KDM4E (0.71) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4918916 0.78 CHRM2 (0.74) BCHEKDM4EHTTKMT2ALMNA
SCHEMBL4916759 0.78 CHRM2 (0.74) BCHEKDM4EHTTKMT2ALMNA
SCHEMBL16994624 0.78 CHRM2 (0.74) BCHEKDM4EHTTKMT2ALMNA
SCHEMBL4920100 0.78 CHRM2 (0.74) BCHEKDM4EHTTKMT2ALMNA

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-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 — — US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 — — 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-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 BCHE 172/4885KDM4E 1612/4885HTT 1816/4885

“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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