SCHEMBL21580201

SCHEMBL21580201

CC1=CC(c2ccco2)OCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 10/20 0.36
CHRM3 P20309 10/20 0.36
CHRM2 P08172 9/20 0.36
CHRM4 P08173 9/20 0.36
CHRM1 P11229 9/20 0.36
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 4/20 0.34
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ADORA2B P29275 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4612040 0.73 TSHR (0.39) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL21580195 0.68 KDM4E (0.34) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL509970 0.65 POLB (0.44) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL434835 0.62
SCHEMBL21580198 0.62 CHRM5 (0.39) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL21580194 0.62 CHRM5 (0.39) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL5334097 0.62 CHRM5 (0.44) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL5456537 0.61
SCHEMBL16136741 0.61 CHRM5 (0.49) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL21402172 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112204122-B 2-Furyl-and 2-thienyl-substituted dihydropyran and tetrahydropyran as aromatic chemicals 巴斯夫欧洲公司 2025-01-07 CN disclosed
EP-3802758-B1 2-FURYL- AND 2-THIENYL-SUBSTITUTED DI- AND TETRAHYDROPYRANS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2024-12-04 EP disclosed
US-11993760-B2 2-furyl- and 2-thienyl-substituted di- and tetrahydropyrans for use as aroma chemicals BASF SE (DE) 2024-05-28 US disclosed
US-20210207057-A1 2-FURYL- AND 2-THIENYL-SUBSTITUTED DI- AND TETRAHYDROPYRANS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-07-08 US disclosed
EP-3802758-A1 2-FURYL- AND 2-THIENYL-SUBSTITUTED DI- AND TETRAHYDROPYRANS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-04-14 EP disclosed
CN-112204122-A 2-furyl-and 2-thienyl-substituted dihydropyrans and tetrahydropyrans as fragrance chemicals 巴斯夫欧洲公司 2021-01-08 CN disclosed
WO-2019224373-A1 2-FURYL- AND 2-THIENYL-SUBSTITUTED DI- AND TETRAHYDROPYRANS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2019-11-28 WO 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-20210207057-A1 2-FURYL- AND 2-THIENYL-SUBSTITUTED DI- AND TETRAHYDROPYRANS FOR USE AS AROMA CHEMICALS TRPA1, TAS2R5, TAS2R3 CHRM5 1610/4885CHRM3 1410/4885CHRM2 2089/4885
US-11993760-B2 2-furyl- and 2-thienyl-substituted di- and tetrahydropyrans for use as aroma chemicals TRPA1, TAS2R5, TAS2R3 CHRM5 1610/4885CHRM3 1410/4885CHRM2 2089/4885

“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.