SCHEMBL20411801

SCHEMBL20411801

CCN(CC)C(=O)C(=O)Nc1c(OC)cc(C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACAT1 P24752 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL18415533 0.88 LMNA (0.52) SMN1; SMN2RAB9AALDH1A1NPC1LMNA
SCHEMBL20411799 0.77 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDCYP1A2PKM
SCHEMBL10683659 0.73 HSD17B10 (0.47) SMN1; SMN2ALDH1A1HPGDCYP1A2PKM
SCHEMBL9037517 0.71 LMNA (0.62) SMN1; SMN2ALDH1A1LMNACYP1A2PKM
SCHEMBL9037525 0.70 MEN1 (0.46) SMN1; SMN2ALDH1A1CYP1A2PKMTP53
SCHEMBL8708131 0.70 MAPT (0.42) ALDH1A1HPGDLMNACYP1A2CYP3A4
SCHEMBL8704698 0.69 ALDH1A1 (0.49) SMN1; SMN2RAB9AALDH1A1NPC1HPGD
SCHEMBL31093985 0.68 CYP3A4 (0.50) SMN1; SMN2ALDH1A1LMNAPKMCYP3A4
SCHEMBL18415560 0.68 MAPT (0.51) SMN1; SMN2ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL9037210 0.67 GAA (0.54) SMN1; SMN2ALDH1A1HPGDPKMCYP3A4

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-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 — — 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-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 SMN1; SMN2 4579/4885RAB9A 4192/4885ALDH1A1 213/4885

“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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