SCHEMBL19110608

SCHEMBL19110608

COC(=O)[C@H]1C2C3C[C@@H]1C(CC=O)C32

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PPM1B O75688 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ PPP1CC P36873 1/20 0.30

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
SCHEMBL17328123 0.82 HSD11B1 (0.35) ALDH1A1GLAHPGDHTTMEN1
SCHEMBL21987198 0.73 PPM1B (0.36) ALDH1A1GLAHPGDHTTMEN1
SCHEMBL21944022 0.70 PPM1B (0.39) ALDH1A1GLAHPGDHTTMEN1
SCHEMBL14297372 0.70 PPM1B (0.39) ALDH1A1GLAHPGDHTTMEN1
SCHEMBL21396529 0.70 CHRM2 (0.30) MEN1KMT2APOLB
SCHEMBL18951234 0.69 — —
SCHEMBL14297376 0.68 PPM1B (0.47) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL12732732 0.68 PPM1B (0.43) ALDH1A1GLAHPGDHTTMEN1
SCHEMBL24404660 0.66 PPM1B (0.42) ALDH1A1GLAHPGDHTTMEN1
SCHEMBL8144512 0.65 CHRM2 (0.36) —

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-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 ALDH1A1 4081/4885GLA 788/4885HPGD 3001/4885

“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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