SCHEMBL18038409

SCHEMBL18038409

CC(=O)OC1C(C)(C)C(OC(C)=O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ POLB P06746 2/20 0.36
▸ CHRM2 P08172 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.30
▸ LMNA P02545 2/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL10261581 0.89 ALDH1A1 (0.36) ALDH1A1TSHRPOLBCYP3A4
SCHEMBL20787032 0.86 SMN1; SMN2 (0.33) ALDH1A1TSHRPOLBLMNA
SCHEMBL20787022 0.83 — —
SCHEMBL16264697 0.78 ALDH1A1 (0.30) ALDH1A1TSHRTDP1
SCHEMBL20580409 0.71 MGAM (0.50) TSHR
SCHEMBL14982984 0.71 CYP3A4 (0.37) TSHRPOLBCHRM2MEN1CYP2D6
SCHEMBL20787026 0.71 ELANE (0.33) —
SCHEMBL7894217 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21510391 0.69 TSHR (0.44) ALDH1A1TSHRPOLBCHRM2MEN1
SCHEMBL7152812 0.69 TSHR (0.44) ALDH1A1TSHRPOLBCHRM2MEN1

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 16 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 claimed
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
EP-3313918-B1 HIGHLY TRANSPARENT COATED CELLULOSETRIACETATE FILM ISLAND POLYMER IND GMBH (DE) 2022-05-25 — — EP disclosed
US-10988590-B2 Highly transparent coated cellulose triacetate film and dissolver medium ISLAND POLYMER INDUSTRIES GMBH (DE) 2021-04-27 — — 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
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
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
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
US-20180194913-A1 HIGHLY TRANSPARENT COATED CELLULOSE TRIACETATE FILM AND DISSOLVER MEDIUM ISLAND POLYMER INDUSTRIES GMBH (DE) 2018-07-12 — — US disclosed
EP-3313918-A1 HIGH-TRANSPARENCY COATED CELLULOSE TRIACETATE FILM AND DISSOLVER MEDIUM Island Polymer Industries GmbH (DE) 2018-05-02 — — EP disclosed
EP-3262107-A1 MULTIFUNCTIONAL OPTICALLY HIGHLY TRANSPARENT FILMS, AND A METHOD FOR PRODUCING SAME Island Polymer Industries GmbH (DE) 2018-01-03 — — EP disclosed
WO-2016206672-A1 HIGH-TRANSPARENCY COATED CELLULOSE TRIACETATE FILM AND DISSOLVER MEDIUM ISLAND POLYMER INDUSTRIES GMBH (DE) 2016-12-29 — — WO disclosed
WO-2016134688-A1 MULTIFUNCTIONAL OPTICALLY HIGHLY TRANSPARENT FILMS, AND A METHOD FOR PRODUCING SAME ISLAND POLYMER INDUSTRIES GMBH (DE) 2016-09-01 — — 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 (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 ALDH1A1 130/4885TSHR 1860/4885POLB 3281/4885

“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.

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