SCHEMBL20787019

SCHEMBL20787019

CCCCOC1C(C)(C)C(OCCCC)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
GBA1 P04062 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 5/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PPP5C P53041 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL20797138 0.85 GBA1 (0.42) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL20787027 0.82
SCHEMBL20787021 0.72 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL16711496 0.70 GBA1 (0.38) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL11790150 0.69 GBA1 (0.50) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL20797171 0.69 GBA1 (0.31) GBA1
SCHEMBL6518428 0.67 GBA1 (0.43) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL6362337 0.67 SMN1; SMN2 (0.43) ADRB2ADRB1ADRB3GBA1SMN1; SMN2
SCHEMBL5986706 0.67
SCHEMBL9500810 0.67 ADRB2 (0.39) ADRB2ADRB1ADRB3GBA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3679115-B1 ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS BASF SE (DE) 2025-04-02 EP disclosed
US-20210061751-A1 ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-03-04 US disclosed
US-20210061751-A1 ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-03-04 US disclosed
EP-3679115-A1 ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-07-15 EP disclosed
CN-111051483-A Esters and ethers of 2,2,4, 4-tetramethylcyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2020-04-21 CN disclosed
WO-2019048544-A1 ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS BASF SE (DE) 2019-03-14 WO disclosed
WO-2019048544-A1 ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS BASF SE (DE) 2019-03-14 WO disclosed
EP-3453750-A1 ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS BASF SE (DE) 2019-03-13 EP 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 (1 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-20210061751-A1 ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS C9, DEGS1, CYP1A1 ADRB2 419/4885ADRB1 451/4885ADRB3 603/4885

“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.