SCHEMBL407118

SCHEMBL407118

CC(C)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
EPHX1 P07099 3/20 0.50
TRPA1 O75762 2/20 0.50
TRPM8 Q7Z2W7 2/20 0.50
LMNA P02545 2/20 0.45
NFE2L2 Q16236 1/20 0.44
HPGD P15428 1/20 0.42
CYP19A1 P11511 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
P2RX4 Q99571 1/20 0.38
NTSR1 P30989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL20730936 1.00 ALDH1A1 (0.53) ALDH1A1EPHX1TRPA1TRPM8LMNA
SCHEMBL4250939 1.00 ALDH1A1 (0.53) ALDH1A1EPHX1TRPA1TRPM8LMNA
SCHEMBL11204442 0.88 ALDH1A1 (0.53) ALDH1A1EPHX1TRPA1TRPM8LMNA
SCHEMBL4623820 0.88 ALDH1A1 (0.53) ALDH1A1EPHX1TRPA1TRPM8LMNA
SCHEMBL7793286 0.84 TRPA1 (0.52) ALDH1A1EPHX1TRPA1TRPM8LMNA
SCHEMBL1617999 0.84 TRPA1 (0.52) ALDH1A1EPHX1TRPA1TRPM8LMNA
SCHEMBL9763449 0.84 ALDH1A1 (0.50) ALDH1A1EPHX1TRPA1TRPM8LMNA
SCHEMBL3675071 0.83 ALDH1A1 (0.56) ALDH1A1EPHX1TRPA1TRPM8LMNA
SCHEMBL1076263 0.83 ALDH1A1 (0.56) ALDH1A1EPHX1TRPA1TRPM8LMNA
SCHEMBL22130836 0.81 ALDH1A1 (0.51) ALDH1A1EPHX1TRPA1TRPM8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840550-B2 Silyl-biaryl phosphoramidites and methods of making BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
US-11840550-B2 Silyl-biaryl phosphoramidites and methods of making BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
US-20230142606-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 US disclosed
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-20220185789-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-06-16 US disclosed
WO-2020201079-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-10-08 WO disclosed
US-10689327-B2 Prodrug amino acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-10464884-B2 Prodrug of amino acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 US disclosed
US-20190047943-A1 PRODRUG OF AMINO ACID DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 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 (9 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-11840550-B2 Silyl-biaryl phosphoramidites and methods of making PAICS, PGLS, SCLY ALDH1A1 3857/4885EPHX1 4271/4885TRPA1 3480/4885
US-10689327-B2 Prodrug amino acid derivative GRIN2A, SLC1A2, SLC1A1 ALDH1A1 1990/4885EPHX1 2862/4885TRPA1 3709/4885
US-20120065152-A1 PRODRUGS OF GUANFACINE UGT1A6, GDA, UGT1A3 ALDH1A1 270/4885EPHX1 779/4885TRPA1 3637/4885
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 ALDH1A1 922/4885EPHX1 722/4885TRPA1 108/4885
US-20230142606-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS DDT, ACHE, DDC ALDH1A1 1734/4885EPHX1 1307/4885TRPA1 178/4885
US-20220185789-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS DDT, ACHE, NIT2 ALDH1A1 787/4885EPHX1 1441/4885TRPA1 184/4885
US-10464884-B2 Prodrug of amino acid derivative GRIN2A, SLC1A2, SLC1A1 ALDH1A1 1745/4885EPHX1 3037/4885TRPA1 3943/4885
US-20190047943-A1 PRODRUG OF AMINO ACID DERIVATIVE GRIN2A, SLC1A2, SLC1A1 ALDH1A1 1745/4885EPHX1 3037/4885TRPA1 3943/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 ALDH1A1 1168/4885EPHX1 1249/4885TRPA1 4768/4885

“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.