SCHEMBL15096391

SCHEMBL15096391

CC(C)(C)OC(=O)COc1ccc2cc(N=[N+]=[N-])c(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ GLA P06280 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ MAOB P27338 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL16948154 0.88 ALDH1A1 (0.50) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL18355295 0.86 RAB9A (0.58) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL15096399 0.85 AKR1C3 (0.50) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL17208771 0.80 CA9 (0.58) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL7030488 0.78 HPGD (0.51) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL15541679 0.78 GLA (0.57) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL17208777 0.78 CA12 (0.45) HPGDKDM4EALDH1A1MAPTGLA
SCHEMBL18469631 0.77 MAOB (0.45) HPGDKDM4EALDH1A1MAPTGLA
SCHEMBL13437570 0.77 MAOB (0.53) HPGDKDM4EALDH1A1HSD17B10GLA
SCHEMBL16934840 0.75 RXFP1 (0.57) HPGDKDM4EALDH1A1GLAGAA

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-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2013-07-11 — — US disclosed
US-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2013-07-11 — — 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-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS SGMS2, SGMS1, DEGS1 HPGD 3858/4885KDM4E 4216/4885ALDH1A1 4578/4885

“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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