SCHEMBL21040130

SCHEMBL21040130

C=Cc1c(C)c2cc(P)ccc2oc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 2/20 0.37
▸ ALDH1A2 O94788 1/20 0.36
▸ ALDH1B1 P30837 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ESR1 P03372 2/20 0.33

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
SCHEMBL27981344 0.73 HSD17B3 (0.69) ALDH1A1HPGDGAACA2CA9
SCHEMBL21457084 0.71 CCR4 (0.53) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL29001391 0.70 MAOB (0.42) ALDH1A1HPGDGAAKDM4EHSD17B3
SCHEMBL30338389 0.70 MAOB (0.42) ALDH1A1HPGDGAAKDM4EHSD17B3
SCHEMBL21456977 0.69 ALDH1A1 (0.67) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL21457016 0.67 ALDH1A1 (0.54) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL21457061 0.65 ALDH1A1 (0.53) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL25421534 0.65 ALDH1A1 (0.48) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL28849981 0.65 MAOB (0.43) HPGD
SCHEMBL4570872 0.64 NQO1 (0.57) ALDH2ALDH1A2ALDH1B1ALDH1A3ALDH1A1

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-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 — — US disclosed
US-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-05-30 — — 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 (2 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-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, LAS1L, MRPL19 ALDH2 3192/4885ALDH1A2 2553/4885ALDH1B1 529/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 ALDH2 3038/4885ALDH1A2 2962/4885ALDH1B1 529/4885

“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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