SCHEMBL20515870

SCHEMBL20515870

COCCOc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.69
▸ NCF1 P14598 4/20 0.49
▸ P2RY12 Q9H244 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL30438659 1.00 ALOX15 (0.69) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL30438115 0.86 ALOX15 (0.64) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389263 0.85 ALOX15 (0.59) ALOX15NCF1ALDH1A1HPGDKDM4E
SCHEMBL9384536 0.84 ALOX15 (0.62) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL18528819 0.84 ALOX15 (0.70) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389285 0.84 ALOX15 (0.70) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389295 0.83 ALOX15 (0.61) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL9385188 0.83 ALOX15 (0.61) ALOX15NCF1P2RY12TSHR
SCHEMBL90018 0.83 ALOX15 (0.53) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL297225 0.82 ALOX15 (1.00) ALOX15P2RY12ALDH1A1HPGDKDM4E

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-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 — — US disclosed
US-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 — — 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-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 ALOX15 1905/4885NCF1 3419/4885P2RY12 2685/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 ALOX15 1933/4885NCF1 3432/4885P2RY12 2618/4885

“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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