SCHEMBL17347205

SCHEMBL17347205

CC(=O)c1coc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.61
TSHR P16473 1/20 0.56
CASP3 P42574 2/20 0.55
SENP8 Q96LD8 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
SENP6 Q9GZR1 2/20 0.55
ACHE P22303 1/20 0.53
NPC1 O15118 1/20 0.52
MAOA P21397 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
FFAR1 O14842 1/20 0.51
SLC16A3 O15427 1/20 0.50
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL15211605 0.88 MAOB (0.58) MAOBCASP3SENP8SENP7SENP6
SCHEMBL17347207 0.85 MAOB (0.50) MAOBCASP3SENP8SENP7SENP6
SCHEMBL26103188 0.84 MAOB (0.65) MAOBCASP3SENP8SENP7SENP6
SCHEMBL30843885 0.82 MAOB (0.65) MAOBCASP3SENP8SENP7SENP6
SCHEMBL14018181 0.82 MAOB (0.65) MAOBCASP3SENP8SENP7SENP6
SCHEMBL7926417 0.82 TSHR (0.50) MAOBTSHRNPC1MAOARAB9A
SCHEMBL1390564 0.81 TSHR (0.49) MAOBTSHRNPC1MAOARAB9A
SCHEMBL9749438 0.80 MAOB (0.56) MAOBCASP3SENP8SENP7SENP6
SCHEMBL24471022 0.79 MAOB (0.66) MAOBTSHRCASP3SENP8SENP7
SCHEMBL7405860 0.79 MAOB (0.52) MAOBCASP3SENP8SENP7SENP6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
WO-2015189117-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-17 WO 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-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF ABAT, HADHB, CYP11B2 MAOB 376/4885TSHR 4073/4885CASP3 527/4885

“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.