SCHEMBL21580199

SCHEMBL21580199

CC1(CC(=O)O)CCOC(c2ccco2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2B P29275 11/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
APEX1 P27695 1/20 0.34
ESR2 Q92731 1/20 0.34
ADORA2A P29274 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL21580197 0.76 NPC1 (0.37) KDM4ENPSR1ADORA2BNPC1ALDH1A1
SCHEMBL23625193 0.74 OPRK1 (0.38) KDM4ENPSR1TSHRADORA2BNPC1
SCHEMBL28687188 0.74 NPC1 (0.37) KDM4ENPSR1NPC1ALDH1A1POLB
SCHEMBL21580196 0.71 NPC1 (0.35) KDM4ENPSR1ADORA2BNPC1ALDH1A1
SCHEMBL21580202 0.71 ADORA2B (0.35) KDM4ETSHRADORA2BNPC1ALDH1A1
SCHEMBL15663214 0.64 KDM4E (0.32) KDM4ETDP1L3MBTL1
SCHEMBL17629236 0.64 CYP1A2 (0.31)
SCHEMBL17633490 0.64 CYP1A2 (0.31)
SCHEMBL17629237 0.64 CYP1A2 (0.31)
SCHEMBL2012393 0.63 TSHR (0.38) KDM4ENPSR1TSHRALDH1A1L3MBTL1

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 KDM4E 1940/4885NPSR1 1071/4885TSHR 2090/4885
US-11993760-B2 2-furyl- and 2-thienyl-substituted di- and tetrahydropyrans for use as aroma chemicals TRPA1, TAS2R5, TAS2R3 KDM4E 1940/4885NPSR1 1071/4885TSHR 2090/4885

“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.