SCHEMBL3676347

SCHEMBL3676347

CC(C)C(=O)C(C)(C)CO

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 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
SCHEMBL8042336 0.93 CYP1A2 (0.35) CYP1A2ALDH1A1
SCHEMBL18893563 0.80 CYP1A2 (0.39) CYP1A2
SCHEMBL13911892 0.79 CYP1A2 (0.43) CYP1A2
SCHEMBL16592170 0.78 PTGS1 (0.32)
SCHEMBL10044964 0.78 CYP1A2 (0.38) CYP1A2
SCHEMBL13991003 0.78 ALDH1A1 (0.33) CYP1A2ALDH1A1TDP1CA2
SCHEMBL15113940 0.76 CYP1A2 (0.37) CYP1A2
SCHEMBL13201627 0.76 CYP1A2 (0.37) CYP1A2ALDH1A1
SCHEMBL13954104 0.76 CYP1A2 (0.37) CYP1A2ALDH1A1TDP1
SCHEMBL11913940 0.74 ALDH1A1 (0.36) CYP1A2ALDH1A1TDP1

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989895-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-04-05 EP claimed
WO-1998057721-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-12-23 WO claimed
US-12577184-B2 Production of 2,2,4,4-tetramethylcyclobutane-1,3-diol from isobutanol using a homogeneous catalyst EASTMAN CHEMICAL COMPANY (US) 2026-03-17 US disclosed
EP-4255873-B1 PRODUCTION OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1, 3-DIOL FROM ISOBUTANOL USING A HOMOGENEOUS CATALYST EASTMAN CHEM CO (US) 2024-12-18 EP disclosed
US-20230399278-A1 PRODUCTION OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FROM ISOBUTANOL USING A HOMOGENEOUS CATALYST EASTMAN CHEMICAL COMPANY (US) 2023-12-14 US disclosed
US-20230399278-A1 PRODUCTION OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FROM ISOBUTANOL USING A HOMOGENEOUS CATALYST EASTMAN CHEMICAL COMPANY (US) 2023-12-14 US disclosed
EP-4255873-A1 PRODUCTION OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1, 3-DIOL FROM ISOBUTANOL USING A HOMOGENEOUS CATALYST Eastman Chemical Company (US) 2023-10-11 EP disclosed
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
WO-2022119792-A1 PRODUCTION OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1, 3-DIOL FROM ISOBUTANOL USING A HOMOGENEOUS CATALYST EASTMAN CHEMICAL COMPANY (US) 2022-06-09 WO disclosed
EP-3230241-B1 PROCESS FOR THE PREPARATION OF CIS-2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL EASTMAN CHEM CO (US) 2021-12-08 EP disclosed
US-20170334815-A1 CATALYST AND METHOD FOR HYDROGENATION OF 1,3-CYCLOBUTANEDIKETONE COMPOUND INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-11-23 US disclosed
US-4804782-A ARTIFICIAL SWEETENER PFIZER, INC. (US) 1989-02-14 US disclosed
US-4517379-A ARTIFICIAL SWEETENER PFIZER INC. (US) 1985-05-14 US disclosed
EP-0069811-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-10-24 EP disclosed
EP-0034876-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-08-29 EP disclosed
US-4454328-A SWEETENERS PFIZER INC. (US) 1984-06-12 US disclosed
US-4411925-A STABLE SWEETENERS PFIZER INC. (US) 1983-10-25 US disclosed
US-4399163-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1983-08-16 US disclosed
EP-0069811-A1 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1983-01-19 EP disclosed
EP-0034876-A2 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1981-09-02 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 (4 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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 CYP1A2 2272/4885ALDH1A1 1459/4885TDP1 1895/4885
US-20170334815-A1 CATALYST AND METHOD FOR HYDROGENATION OF 1,3-CYCLOBUTANEDIKETONE COMPOUND CXXC5, ZRANB2, GZMB CYP1A2 1940/4885ALDH1A1 4627/4885TDP1 870/4885
US-20230399278-A1 PRODUCTION OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FROM ISOBUTANOL USING A HOMOGENEOUS CATALYST TDO2, HAO2, CYP8B1 CYP1A2 74/4885ALDH1A1 1380/4885TDP1 1313/4885
US-12577184-B2 Production of 2,2,4,4-tetramethylcyclobutane-1,3-diol from isobutanol using a homogeneous catalyst HAO2, TDO2, THRB CYP1A2 359/4885ALDH1A1 723/4885TDP1 2271/4885

“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.