SCHEMBL20350032

SCHEMBL20350032

COc1ccc2oc3c(ccc4cc5c(cc43)OCO5)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ MAOA P21397 3/20 0.50
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43

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
SCHEMBL20350085 0.92 MAOA (0.55) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL20349968 0.85 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL20346751 0.84 KDM4E (0.40) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL20346765 0.81 PDE5A (0.41) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL20349998 0.80 CYP3A4 (0.55) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL28400048 0.79 MAOA (0.68) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL20350104 0.79 TBK1 (0.42) ALDH1A1MAOACYP1A2CYP1A1CYP1B1
SCHEMBL20350033 0.78 MAOA (0.54) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL20317343 0.78 NPC1 (0.58) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL20346763 0.78 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AMAPTKDM4E

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 ALDH1A1 1200/4885NPC1 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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