SCHEMBL20305039

SCHEMBL20305039

COC(=O)c1ccc(/C=C2/CCN(C(=O)O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ OGA O60502 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ SRD5A2 P31213 5/20 0.44
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GPR183 P32249 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 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
SCHEMBL6194728 0.92 OGA (0.50) ALDH1A1OGAPIM1SRD5A2MAPT
SCHEMBL20332701 0.84 NR1H2 (0.48) ALDH1A1OGAPIM1MAPT
SCHEMBL14030458 0.80 OGA (0.52) ALDH1A1OGAPIM1MAPTNPC1
SCHEMBL4662026 0.79 ALDH1A1 (0.61) ALDH1A1OGAPIM1MAPTNPC1
SCHEMBL23887638 0.79 SRD5A2 (0.43) SRD5A2
SCHEMBL23887668 0.79 SRD5A2 (0.43) SRD5A2NPC1RAB9AGPR183HPGD
SCHEMBL1602307 0.78 OGA (0.46) ALDH1A1OGAPIM1SRD5A2MAPT
SCHEMBL14720729 0.77 SRD5A2 (0.47) ALDH1A1SRD5A2NPC1RAB9AHPGD
SCHEMBL18170306 0.77 ALDH1A1 (0.47) ALDH1A1OGAPIM1MAPTNPC1
SCHEMBL6392680 0.76 SRD5A1 (0.50) ALDH1A1SRD5A2RAB9ATDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087314-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2020-03-19 — — US disclosed
EP-3558947-A2 HISTONE DEACETYLASE INHIBITORS BioMarin Pharmaceutical Inc. (US) 2019-10-30 — — EP disclosed
WO-2018119362-A2 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICALS INC. (US) 2018-06-28 — — WO 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-20200087314-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 ALDH1A1 1150/4885OGA 1204/4885PIM1 3862/4885

“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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