SCHEMBL23745686

SCHEMBL23745686

COc1cccc(C(C)C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.51
CASR P41180 3/20 0.50
ACHE P22303 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
POLB P06746 1/20 0.44

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
SCHEMBL11991411 1.00 AOC3 (0.51) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL14284906 1.00 AOC3 (0.51) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL11991412 1.00 AOC3 (0.51) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL11619720 0.91 CASR (0.53) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL23544819 0.86 CASR (0.57) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL10446047 0.85 AOC3 (0.53) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL18793772 0.84 AOC3 (0.54) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL24925808 0.84 AOC3 (0.54) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL21286867 0.84 AOC3 (0.54) AOC3CASRACHEL3MBTL1TAAR1
SCHEMBL11615791 0.83 AOC3 (0.51) AOC3CASRACHEL3MBTL1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053649-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. 2023-02-23 US disclosed
US-20230009608-A1 GRK2 INHIBITORS AND USES THEREOF SONATA THERAPEUTICS, INC. 2023-01-12 US disclosed
WO-2022272036-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 US disclosed
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-18 US disclosed
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 US disclosed
US-7323490-B2 Pyrrole compounds and uses thereof AMBIT BIOSCIENCES CORPORATION (US) 2008-01-29 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 (8 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-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES DHPS, QDPR, HTR5A AOC3 1039/4885CASR 4217/4885ACHE 1797/4885
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 AOC3 1092/4885CASR 4800/4885ACHE 813/4885
US-20230009608-A1 GRK2 INHIBITORS AND USES THEREOF GRK2, GRK3, GRK1 AOC3 3911/4885CASR 3385/4885ACHE 4754/4885
US-11377422-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 AOC3 1327/4885CASR 433/4885ACHE 305/4885
US-20210139479-A1 COMT Inhibiting Methods and Compositions COMT, PNMT, HNMT AOC3 179/4885CASR 4738/4885ACHE 9/4885
US-10934283-B2 COMT inhibiting methods and compositions COMT, MAOB, MAOA AOC3 380/4885CASR 4451/4885ACHE 20/4885
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPV5 AOC3 1327/4885CASR 433/4885ACHE 305/4885
US-20230053649-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 AOC3 3843/4885CASR 4045/4885ACHE 918/4885

“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.