SCHEMBL21001053

SCHEMBL21001053

CC1CCCC(CC(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ACHE P22303 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL18660049 0.85 THRA (0.36) THRATHRB
SCHEMBL6711004 0.85 IDO1 (0.30)
SCHEMBL3224228 0.81 EPHX2 (0.31)
SCHEMBL3226686 0.80 ADH1B (0.31)
SCHEMBL10580160 0.79
SCHEMBL11150763 0.78
SCHEMBL16191295 0.77 CYP1A2 (0.33) ACHECYP1A2
SCHEMBL2580520 0.77 ACHE (0.33) ACHE
SCHEMBL16191036 0.76 CYP1A2 (0.44) ACHECYP1A2
SCHEMBL22788043 0.75

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
EP-3713609-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-09-30 EP claimed
WO-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 WO claimed
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING GLYCOMIMETICS, INC. (US) 2023-07-13 US disclosed
US-20230159853-A1 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2023-05-25 US disclosed
US-20210003553-A1 METHOD OF IDENTIFYING LAUNDRY MALODOR, MOLDY MALODOR AND/OR SWEAT MALODOR MODULATING COMPOUNDS FIRMENICH SA (CH) 2021-01-07 US disclosed
EP-3713610-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR Firmenich SA (CH) 2020-09-30 EP disclosed
EP-3713609-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-09-30 EP disclosed
WO-2019101821-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2019-05-31 WO disclosed
WO-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 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 (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-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING SELE, SELPLG, MCL1 THRA 4333/4885THRB 4507/4885ACHE 4806/4885

“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.