SCHEMBL2945488

SCHEMBL2945488

CCCCCC1CCCOC1=O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
EPHX1 P07099 1/20 0.40

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
SCHEMBL2964958 0.98 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2966100 0.98 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2976999 0.98 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2971445 0.98 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL368248 0.98 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2979522 0.98 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL8999804 0.98 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL6982564 0.95 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL28727012 0.95 CYP1A2 (0.42) CYP1A2
SCHEMBL10713733 0.94 CYP1A2 (0.44) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3930460-A1 ARTHROPOD CONTROL COMPOSITIONS Firmenich SA (CH) 2022-01-05 EP claimed
EP-3930461-A1 ARTHROPOD CONTROLLING COMPOSITION Firmenich SA (CH) 2022-01-05 EP claimed
WO-2020239980-A1 ARTHROPOD CONTROLLING COMPOSITION FIRMENICH SA (CH) 2020-12-03 WO claimed
WO-2020239954-A1 ARTHROPOD CONTROL COMPOSITIONS FIRMENICH SA (CH) 2020-12-03 WO claimed
US-12018226-B2 Perfuming compositions FIRMENICH SA (CH) 2024-06-25 US disclosed
EP-3793514-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2021-03-24 EP disclosed
US-20200325415-A1 PERFUMING COMPOSITIONS FIRMENICH SA (CH) 2020-10-15 US disclosed
US-20190264133-A1 PERFUMING COMPOSITIONS FIRMENICH SA (CH) 2019-08-29 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2139354-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008116339-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-02 WO disclosed
US-4132703-A Stabilization of vinyl chloride polymers by means of lactone compounds RHONE-POULENC INDUSTRIES (FR) 1979-01-02 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 (1 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-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 CYP1A2 11/4885EPHX1 528/4885

“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.