SCHEMBL13765417

SCHEMBL13765417

COc1cc(C=O)ccc1OC(=O)CC(C)C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
TSHR P16473 1/20 0.60
FDPS P14324 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
AOX1 Q06278 1/20 0.51
TRIM24 O15164 1/20 0.51
HPGD P15428 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
ALOX15 P16050 1/20 0.51
TOP2A P11388 1/20 0.51
POLB P06746 1/20 0.50
FGFR1 P11362 1/20 0.49

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
SCHEMBL4090523 0.86 ALDH1A1 (0.66) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL13765408 0.86 ALDH1A1 (0.57) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL23318135 0.86 POLB (0.59) ALDH1A1KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL9652057 0.85 ALDH1A1 (0.54) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4645057 0.85 ALDH1A1 (0.64) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL891572 0.85 FGFR1 (0.65) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL31096971 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4643932 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4642389 0.84 TOP2A (0.71) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL31756896 0.84 TOP2A (0.63) ALDH1A1TSHRFDPSKDM4EMAPT

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 20 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
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
WO-2009092176-A2 METHOD OF FLAVORING GIVAUDAN SA (CH) 2009-07-30 WO disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 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 (5 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 ALDH1A1 2604/4885TSHR 4291/4885FDPS 66/4885
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT ALDH1A1 2604/4885TSHR 4291/4885FDPS 66/4885
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT ALDH1A1 2604/4885TSHR 4291/4885FDPS 66/4885
US-20240391864-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT ALDH1A1 2604/4885TSHR 4291/4885FDPS 66/4885
US-20090186138-A1 Method of Flavoring TAS2R5, TAS2R50, TAS2R10 ALDH1A1 967/4885TSHR 4345/4885FDPS 174/4885

“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.