SCHEMBL20033973

SCHEMBL20033973

CC(C)c1occc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PTPRC P08575 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
ESR2 Q92731 1/20 0.34
BACE1 P56817 1/20 0.33
ALOX5 P09917 1/20 0.33
METAP2 P50579 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP2B6 P20813 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL20028709 0.79 BACE1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22897168 0.76 BACE1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10047206 0.76 LMNA (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10166444 0.71 NPC1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4546371 0.70 GABRA1 (0.37) ESR2MAPK1HPGDMAPTPTGS1
SCHEMBL25706171 0.70 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20033983 0.70 GABRA1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL887941 0.69 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9910777 0.68 TDO2 (0.53) CDC25ACDC25BMETAP2ADORA3ADORA2A
SCHEMBL31412182 0.67 BACE1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues UNIV ARIZONA STATE (US) 2021-07-15 US disclosed
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-05-18 US disclosed
US-20180226593-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-08-09 US disclosed
US-9941479-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-04-10 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 (5 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-20180226593-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues DPYD, DCTD, TYMP CHRM2 4715/4885CHRM4 4699/4885CHRM5 4507/4885
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues DPYD, DCTD, TYMP CHRM2 4715/4885CHRM4 4699/4885CHRM5 4507/4885
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues DPYD, DCTD, TYMP CHRM2 4715/4885CHRM4 4699/4885CHRM5 4507/4885
US-11873290-B2 IL6, MUSK, IL6ST CHRM2 967/4885CHRM4 1843/4885CHRM5 1300/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A CHRM2 986/4885CHRM4 1774/4885CHRM5 1282/4885

“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.