SCHEMBL18470146

SCHEMBL18470146

COc1ccc(OC)c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cc(OC)ccc2OC)C4=O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SCN2A Q99250 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ BRD1 O95696 1/20 0.46
▸ BRPF1 P55201 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL18470153 0.92 MAPT (0.50) MAPTALDH1A1HSD17B10ESR1KMT2A
SCHEMBL6392226 0.87 SCN2A (0.66) MAPTALDH1A1HSD17B10ESR1KMT2A
SCHEMBL18475611 0.82 ESR1 (0.44) MAPTALDH1A1HSD17B10ESR1KMT2A
SCHEMBL14016764 0.82 ESR1 (0.48) MAPTALDH1A1HSD17B10ESR1KMT2A
SCHEMBL18379166 0.80 STAT3 (0.44) MAPTALDH1A1HSD17B10ESR1KMT2A
SCHEMBL6005777 0.80 SCN2A (0.72) MAPTALDH1A1HSD17B10ESR1KMT2A
SCHEMBL10705337 0.78 MGLL (0.61) MAPTALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL14110195 0.76 ESR1 (0.46) MAPTALDH1A1HSD17B10ESR1KMT2A
SCHEMBL14016790 0.76 ALDH1A1 (0.51) MAPTALDH1A1ESR1KMT2AMEN1
SCHEMBL14016785 0.75 MEN1 (0.46) MAPTALDH1A1ESR1KMT2AMEN1

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-10596164-B2 Anti-clostridium compounds NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2020-03-24 — — US disclosed
US-20170035750-A1 NEW ANTI-CLOSTRIDIUM COMPOUNDS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETEN SCHAPPELIJK ONDERZOEK TNO (NL) 2017-02-09 — — US disclosed
US-20170035750-A1 NEW ANTI-CLOSTRIDIUM COMPOUNDS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETEN SCHAPPELIJK ONDERZOEK TNO (NL) 2017-02-09 — — 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-10596164-B2 Anti-clostridium compounds CLPP, ATP5F1A, ATP5F1C MAPT 3960/4885ALDH1A1 3578/4885HSD17B10 1502/4885
US-20170035750-A1 NEW ANTI-CLOSTRIDIUM COMPOUNDS ANTXR2, CLPP, DAD1 MAPT 2771/4885ALDH1A1 4153/4885HSD17B10 1171/4885

“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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