SCHEMBL20317316

SCHEMBL20317316

O=c1c2cc3c4c(ccc3cc2oc2ccc3c(c12)OCO3)OCO4

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ RGS17 Q9UGC6 2/20 0.38
▸ RGS12 O14924 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL20317303 0.87 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20317307 0.87 TDP1 (0.41) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20317234 0.86 CDK2 (0.41) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20317345 0.85 PDE5A (0.36) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20317347 0.84 KMT2A (0.41) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20317280 0.84 MAOA (0.47) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20346668 0.83 TDP1 (0.40) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20317305 0.82 CYP1A2 (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20317349 0.82 AR (0.35) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20317340 0.82 MAOA (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-06-28 — — US disclosed
US-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-06-28 — — 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-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 KDM4E 2074/4885ALDH1A1 1200/4885MAPT 2891/4885

“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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