SCHEMBL18014705

SCHEMBL18014705

CC(C)(C)Cc1ccccc1-c1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.53
▸ MAOA P21397 3/20 0.53
▸ HTR2C P28335 1/20 0.47
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL18015826 0.82 MAOB (0.57) MAOBMAOAHTR2CCA1CA9
SCHEMBL21480315 0.79 MAOB (0.57) MAOBMAOAHTR2CCA1CA9
SCHEMBL2208757 0.79 HDAC6 (0.60) MAOBMAOAHTR2CKMT2AMEN1
SCHEMBL21480331 0.79 MAOB (0.57) MAOBMAOAHTR2CCA1CA9
SCHEMBL8893064 0.79 MAOB (0.57) MAOBMAOAHTR2CCA1CA9
SCHEMBL4901772 0.79 MAOB (0.57) MAOBMAOAHTR2CCA1CA9
SCHEMBL12854020 0.75 MAOB (0.71) MAOBMAOAHTR2CCA1CA9
SCHEMBL61411 0.75 MAOB (0.71) MAOBMAOAHTR2CCA1CA9
SCHEMBL19497662 0.74 MAOB (0.63) MAOBMAOAHTR2CCA1CA9
SCHEMBL17367232 0.73 MAOB (0.54) MAOBMAOAHTR2CCA12CA1

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-20200325156-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF RUI JIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2020-10-15 — — US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 — — 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 (2 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 MAOB 721/4885MAOA 1066/4885HTR2C 772/4885
US-20200325156-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF WEE1, ABCG2, WEE2 MAOB 1780/4885MAOA 1719/4885HTR2C 2878/4885

“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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