SCHEMBL20346725

SCHEMBL20346725

COc1ccc2oc3ccc4cccc(F)c4c3c(=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ HPGD P15428 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ CASP3 P42574 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ SENP8 Q96LD8 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60
▸ SENP6 Q9GZR1 1/20 0.60
▸ MAOA P21397 3/20 0.57
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL20346671 0.91 MAOA (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20346694 0.86 RAB9A (0.61) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20346678 0.84 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20349981 0.83 MAOA (0.55) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20346696 0.82 AHR (0.44) MAOAKMT2AMEN1
SCHEMBL20330051 0.82 MAOA (0.50) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20317333 0.82 NPC1 (0.64) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20346578 0.81 MAOA (0.71) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20349925 0.81 KDM4E (0.75) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20346638 0.79 MAOA (0.53) KDM4EALDH1A1HPGDMAPTNPC1

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-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-07-05 — — US disclosed
US-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-07-05 — — 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-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 KDM4E 2074/4885ALDH1A1 1200/4885HPGD 303/4885

“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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