SCHEMBL6889454

SCHEMBL6889454

CC(C)C1(F)CCOCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL22699234 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27335751 0.84
SCHEMBL25561206 0.84
SCHEMBL4546675 0.78
SCHEMBL26340279 0.75
SCHEMBL2292661 0.73
SCHEMBL17586748 0.73
SCHEMBL2289434 0.73
SCHEMBL22690042 0.72 POLB (0.30)
SCHEMBL10248882 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024076672-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20230381172-A1 COMBINATIONS OF BCL-2 INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS ZENO MANAGEMENT, INC. 2023-11-30 US disclosed
US-11813259-B2 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2023-11-14 US disclosed
WO-2023150681-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2023-08-10 WO disclosed
US-20230210846-A1 TREATMENT FOR AMYLOIDOSIS ZENO MANAGEMENT, INC. 2023-07-06 US disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 US disclosed
US-20230158048-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-05-25 US disclosed
US-20230150986-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNITED STATES GOVERNMENT 2023-05-18 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-8053438-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2011-11-08 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US 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 (16 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 ALDH1A1 3019/4885
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ALDH1A1 929/4885
US-11813259-B2 Benzamide compounds MKI67, TMBIM6, HDAC1 ALDH1A1 81/4885
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 ALDH1A1 1756/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ALDH1A1 929/4885
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ADORA3, ADORA2A, ADORA2B ALDH1A1 308/4885
US-20230210846-A1 TREATMENT FOR AMYLOIDOSIS TTR, AMY1A, CRYAA ALDH1A1 842/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ALDH1A1 929/4885
US-20230158048-A1 COMBINATIONS CDK4, CDK6, CDKL4 ALDH1A1 3187/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ALDH1A1 640/4885
US-20230381172-A1 COMBINATIONS OF BCL-2 INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS BCL2, BAD, BAK1 ALDH1A1 4190/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D ALDH1A1 1600/4885
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP ALDH1A1 349/4885
US-20230150986-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 ALDH1A1 2208/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 ALDH1A1 2694/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ALDH1A1 526/4885

“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.