SCHEMBL20350002

SCHEMBL20350002

COc1ccc2ccc3oc4cc(C(F)(F)F)ccc4c(=O)c3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ MAOB P27338 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ MAOA P21397 2/20 0.48
▸ RAD52 P43351 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ PIM1 P11309 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42

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
SCHEMBL20350020 0.95 NPC1 (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20350003 0.91 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20350021 0.91 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20349991 0.87 PIM1 (0.49) ALDH1A1KDM4EHPGDMAPTEPHX2
SCHEMBL20349922 0.87 NPC1 (0.61) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20329743 0.84 NPC1 (0.52) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20346654 0.84 PIM1 (0.44) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL20349982 0.84 NPC1 (0.54) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL20349917 0.82 PIM1 (0.49) MAOBEPHX2MAOAPIM1PIM3
SCHEMBL20329668 0.81 NPC1 (0.56) ALDH1A1NPC1RAB9AKDM4EHPGD

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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