SCHEMBL20346751

SCHEMBL20346751

Cc1ccc2oc3c(ccc4cc5c(cc43)OCO5)c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ TP53 P04637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ BAK1 Q16611 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39

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
SCHEMBL20346763 0.91 ALDH1A1 (0.42) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL20346765 0.85 PDE5A (0.41) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20346686 0.84 ALPG (0.41) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL20350032 0.84 ALDH1A1 (0.56) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL20350104 0.81 TBK1 (0.42) ALDH1A1BCL2L1MCL1BAK1CYP1A1
SCHEMBL20346752 0.79 BCL2L1 (0.39) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL20346753 0.78 POLB (0.45) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL20346766 0.78 PDE5A (0.42) ALDH1A1HPGDBCL2L1MCL1BAK1
SCHEMBL20346683 0.78 ALDH1A1 (0.42) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL20350085 0.78 MAOA (0.55) KDM4ENPC1RAB9AALDH1A1MAPT

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 1 patent. 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

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 2074/4885NPC1 347/4885RAB9A 3885/4885

“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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