SCHEMBL20317232

SCHEMBL20317232

O=c1c2ccc(Cl)cc2oc2cc3ccccc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.56
AHR P35869 1/20 0.56
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
MAOA P21397 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PGAM1 P18669 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 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
SCHEMBL20317231 0.90 TTR (0.56) TTRAHRCA1CA2MAOA
SCHEMBL24155359 0.86 AHR (0.69) TTRAHRCA1CA2KDM4E
SCHEMBL20317251 0.86 AHR (0.56) TTRAHRCA1CA2MAOA
SCHEMBL20317277 0.86 AHR (0.56) TTRAHRCA1CA2MAOA
SCHEMBL11728871 0.86 TTR (0.71) TTRAHRCA1CA2MAOA
SCHEMBL7915081 0.86 MAOA (0.54) TTRMAOANPC1RAB9AKDM4E
SCHEMBL29465920 0.86 TTR (0.71) TTRAHRCA1CA2MAOA
SCHEMBL237891 0.84 AHR (0.79) TTRAHRCA1CA2MAOA
SCHEMBL6901215 0.82 MAOA (0.69) TTRMAOANPC1RAB9AKDM4E
SCHEMBL24212091 0.81 AHR (0.58) TTRAHRCA1CA2KDM4E

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 TTR 2437/4885AHR 1/4885CA1 4857/4885

“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.