SCHEMBL19900317

SCHEMBL19900317

CC1CCC(C(C)C)C(OC(=O)C2CCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.58
ALDH1A1 P00352 8/20 0.50
HPGD P15428 2/20 0.50
CYP19A1 P11511 2/20 0.49
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
TRPA1 O75762 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL19900259 0.97 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1CHRM2
SCHEMBL31611450 0.97 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1CHRM2
SCHEMBL1171507 0.95 EPHX1 (0.64) EPHX1ALDH1A1HPGDCYP19A1CHRM2
SCHEMBL19900196 0.94 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL31611494 0.87 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL23256074 0.85 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL30078348 0.85 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL21610579 0.85 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6387314 0.85 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL16194851 0.85 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US claimed
EP-3503733-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF Iowa State University Research Foundation, Inc. (US) 2019-07-03 EP claimed
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-02-14 US claimed
WO-2018039376-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-03-01 WO claimed
US-20240391864-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2024-11-28 US disclosed
EP-4382518-A2 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF Iowa State University Research Foundation, Inc. (US) 2024-06-12 EP disclosed
EP-3503733-B1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2024-03-20 EP disclosed
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US disclosed
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US disclosed
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US disclosed
US-11485701-B2 Insect repellent compounds and compositions, and methods thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-11-01 US disclosed
US-11485701-B2 Insect repellent compounds and compositions, and methods thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-11-01 US disclosed
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-02-14 US disclosed
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-02-14 US disclosed
WO-2018039376-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-03-01 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 (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-11485701-B2 Insect repellent compounds and compositions, and methods thereof C5, CYP51A1, DDT EPHX1 115/4885ALDH1A1 2604/4885HPGD 799/4885
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT EPHX1 115/4885ALDH1A1 2604/4885HPGD 799/4885
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT EPHX1 115/4885ALDH1A1 2604/4885HPGD 799/4885
US-20240391864-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT EPHX1 115/4885ALDH1A1 2604/4885HPGD 799/4885

“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.