SCHEMBL2597399

SCHEMBL2597399

CCCCC/C=C/CC1CCC(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
FAAH O00519 3/20 0.41
MGLL Q99685 2/20 0.41
PPARG P37231 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
MAPT P10636 1/20 0.38
LPAR1 Q92633 1/20 0.36

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
SCHEMBL18133543 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRFAAHMGLL
SCHEMBL309361 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRFAAHMGLL
SCHEMBL2901282 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRFAAHMGLL
SCHEMBL10339907 0.98 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRFAAHMGLL
SCHEMBL10339908 0.98 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRFAAHMGLL
SCHEMBL10339906 0.98 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRFAAHMGLL
SCHEMBL27968096 0.89 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPPARG
SCHEMBL1716637 0.88 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRFAAHMGLL
SCHEMBL2597391 0.83 CYP1A2 (0.66) CYP1A2ALDH1A1TSHRFAAHMGLL
SCHEMBL31048000 0.83 CYP1A2 (0.66) CYP1A2ALDH1A1TSHRFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120091758-A Arthropod control composition 弗门尼舍有限公司 2025-06-03 CN disclosed
EP-3383192-B2 CRUMB CHOCOLATE FLAVOR COMPOSITIONS MARS INC (US) 2025-04-16 EP disclosed
EP-2571380-B1 5-Alkenyl-2-oxo-tetrahydrofurane derivatives as flavoring compounds FIRMENICH & CIE (CH) 2016-04-20 EP disclosed
US-20160015032-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2016-01-21 US disclosed
US-8968723-B2 Chemical and biological agents for the control of molluscs MARRONE BIO INNOVATIONS, INC. (US) 2015-03-03 US disclosed
US-20130121978-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS MARRONE BIO INNOVATIONS, INC. (US) 2013-05-16 US disclosed
EP-2571380-A1 5-ALKENYL-2-OXO-TETRAHYDROFURANE DERIVATIVES AS FLAVORING COMPOUNDS Firmenich SA (CH) 2013-03-27 EP disclosed
US-20130034646-A1 5-ALKENYL-2-OXO-TETRAHYDROFURANE DERIVATIVES AS FLAVORING COMPOUNDS FIRMENICH SA (CH) 2013-02-07 US disclosed
WO-2011145048-A1 5-ALKENYL-2-OXO-TETRAHYDROFURANE DERIVATIVES AS FLAVORING COMPOUNDS FIRMENICH SA (CH) 2011-11-24 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 (3 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-20130034646-A1 5-ALKENYL-2-OXO-TETRAHYDROFURANE DERIVATIVES AS FLAVORING COMPOUNDS FABP5, ACSL5, TAS2R5 CYP1A2 819/4885ALDH1A1 113/4885TSHR 4387/4885
US-20160015032-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS ACHE, POLI, POLL CYP1A2 1971/4885ALDH1A1 1861/4885TSHR 3549/4885
US-20130121978-A1 CHEMICAL AND BIOLOGICAL AGENTS FOR THE CONTROL OF MOLLUSCS ACHE, POLI, POLL CYP1A2 1971/4885ALDH1A1 1861/4885TSHR 3549/4885

“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.