SCHEMBL8094329

SCHEMBL8094329

CC(C)C(c1ccccc1)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
TAAR1 Q96RJ0 3/20 0.41
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC22A2 O15244 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL825973 0.84 AOC3 (0.50) AOC3TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL765075 0.81 LMNA (0.45) AOC3ADRA2AADRA2CCYP2D6LMNA
SCHEMBL3886956 0.77 AOC3 (0.45) AOC3TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL17084095 0.75 ADRA2C (0.48) AOC3TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL16233141 0.75 ADRA2A (0.54) AOC3TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL15222220 0.75 ADRA2C (0.48) AOC3TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL8089536 0.75 TSHR (0.48) AOC3TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL9239618 0.75 TSHR (0.48) AOC3TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL21789841 0.75 ADRA2C (0.48) AOC3TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL17084114 0.75 ADRA2C (0.48) AOC3TAAR1ADRA2AADRA2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017541-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC 2022-01-20 US disclosed
US-20210139479-A1 COMT Inhibiting Methods and Compositions LIEBER INST INC (US) 2021-05-13 US disclosed
US-10934283-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE, INC. (US) 2021-03-02 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP 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 (4 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-20220017541-A1 INHIBITORS OF ARGINASE ARG1, ARG2, ARGLU1 AOC3 238/4885TAAR1 1533/4885ADRA2A 3155/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 AOC3 4513/4885TAAR1 2508/4885ADRA2A 2210/4885
US-20210139479-A1 COMT Inhibiting Methods and Compositions COMT, PNMT, HNMT AOC3 179/4885TAAR1 1040/4885ADRA2A 879/4885
US-10934283-B2 COMT inhibiting methods and compositions COMT, MAOB, MAOA AOC3 380/4885TAAR1 775/4885ADRA2A 214/4885

“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.