SCHEMBL20185591

SCHEMBL20185591

CC(=O)OCCC1CCOC1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SLC18A3 Q16572 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
TSHR P16473 1/20 0.33
GALR3 O60755 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
SCHEMBL15722240 0.82 NLRP3 (0.38) ALDH1A1PDK1NLRP3LMNAHSD17B10
SCHEMBL20185593 0.81 NLRP3 (0.36) ALDH1A1NLRP3LMNA
SCHEMBL20205768 0.76
SCHEMBL28859527 0.74 ALDH1A1 (0.41) ALDH1A1CHRM5CHRM1CHRM3SLC18A3
SCHEMBL18256666 0.72 KDM4E (0.38) ALDH1A1TSHRLMNA
SCHEMBL20185595 0.72 ALDH1A1 (0.35) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL8347332 0.71
SCHEMBL18256667 0.71
SCHEMBL20185594 0.71 ALDH1A1 (0.43) ALDH1A1PGRTSHRRAB9ALMNA
SCHEMBL27433743 0.70 LMNA (0.47) ALDH1A1SMN1; SMN2LMNA

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-10618898-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-04-14 US disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A ALDH1A1 380/4885CHRM5 2009/4885CHRM1 1775/4885
US-10618898-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A ALDH1A1 380/4885CHRM5 2009/4885CHRM1 1775/4885

“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.