SCHEMBL19196315

SCHEMBL19196315

COC(=O)c1ccc(C(=O)/C=C/c2cc3ccc(C)cc3oc2=O)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.45
▸ MAOA P21397 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ P4HB P07237 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL19196314 0.89 MAOB (0.42) MAOBMAOAALDH1A1NPC1MAPT
SCHEMBL19196346 0.87 MAOB (0.41) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL19203422 0.85 MEN1 (0.51) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL19196064 0.77 MIF (0.45) MAOBMAOAALDH1A1HPGDMAPT
SCHEMBL19196312 0.75 MAPT (0.49) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL19196313 0.75 MAPT (0.58) MAOBMAOAKDM4EALDH1A1NPC1
SCHEMBL17525296 0.75 MAOB (0.50) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL17525313 0.74 ALDH1A1 (0.55) MAOBKDM4EALDH1A1HPGDNPC1
SCHEMBL17037974 0.73 HSD11B1 (0.47) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL15984324 0.67 MEN1 (0.57) KDM4EALDH1A1HPGDNPC1MAPT

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-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS BAYLOR COLLEGE OF MEDICINE (US) 2017-08-03 — — 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-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS SQOR, TXN2, TXNRD1 MAOB 1766/4885MAOA 1957/4885KDM4E 3799/4885

“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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