SCHEMBL22025439

SCHEMBL22025439

C=NNC(=O)CN(CC)c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ TSHR P16473 1/20 0.40
▸ HTR7 P34969 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ MAPT P10636 7/20 0.36
▸ GAA P10253 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ LMNA P02545 5/20 0.36
▸ POLB P06746 1/20 0.36
▸ ESRRG P62508 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HTT P42858 2/20 0.35

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
SCHEMBL22025438 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4TSHRHTR7OPRM1
SCHEMBL124477 0.77 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHTR7OPRM1
SCHEMBL29379172 0.77 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHTR7OPRM1
SCHEMBL22166479 0.75 ALDH1A1 (0.81) ALDH1A1CYP3A4TSHRHTR7OPRM1
Ethane SCHEMBL27716473 0.75 ALDH1A1 (0.96) ALDH1A1CYP3A4TSHRHTR7OPRM1
Hydrochloric Acid SCHEMBL11588143 0.75 ALDH1A1 (0.96) ALDH1A1CYP3A4TSHRHTR7OPRM1
SCHEMBL23771123 0.75 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPTKDM4EHPGD
SCHEMBL8415298 0.74 ALDH1A1 (0.63) ALDH1A1CYP3A4TSHRHTR7MAPT
Phenol SCHEMBL9774134 0.74 ALDH1A1 (0.79) ALDH1A1CYP3A4TSHRHTR7OPRM1
Sulfur Dioxide SCHEMBL28246980 0.74 ALDH1A1 (0.85) ALDH1A1CYP3A4TSHRHTR7OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165194-A1 ADDITIVE COMPOSITION FOR CULTURE MEDIUM, ADDITIVE COMPOUND FOR CULTURE MEDIUM, AND METHOD FOR CULTURE OF CELLS OR TISSUE USING SAME NISSAN CHEMICAL CORPORATION (JP) 2020-05-28 — — 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-20200165194-A1 ADDITIVE COMPOSITION FOR CULTURE MEDIUM, ADDITIVE COMPOUND FOR CULTURE MEDIUM, AND METHOD FOR CULTURE OF CELLS OR TISSUE USING SAME NEFM, FGF2, FGF1 ALDH1A1 1259/4885CYP3A4 4142/4885TSHR 4629/4885

“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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