SCHEMBL22115653

SCHEMBL22115653

CCC(Br)C(C)(OC)OC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL990395 0.69
SCHEMBL16819071 0.67 TSHR (0.52) ALDH1A1TSHRTDP1
SCHEMBL10742673 0.64 DGAT1 (0.40) ALDH1A1
SCHEMBL1856727 0.64 DGAT1 (0.35) ALDH1A1
SCHEMBL3099755 0.63 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL295752 0.63
SCHEMBL7875982 0.63
SCHEMBL7869332 0.63
SCHEMBL6617081 0.62
SCHEMBL10436230 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111183136-B Amber odorant 弗门尼舍有限公司 2024-05-28 CN disclosed
EP-3668850-B1 AMBER ODORANT FIRMENICH & CIE (CH) 2021-07-14 EP disclosed
US-10889558-B2 Amber odorant FIRMENICH SA (CH) 2021-01-12 US disclosed
US-20200299254-A1 AMBER ODORANT FIRMENICH SA (CH) 2020-09-24 US disclosed
EP-3668850-A1 AMBER ODORANT Firmenich SA (CH) 2020-06-24 EP disclosed
CN-111183136-A Amber odorant 弗门尼舍有限公司 2020-05-19 CN 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 (2 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-10889558-B2 Amber odorant TRPA1, TAS2R41, OPRM1 ALDH1A1 655/4885TSHR 4165/4885TDP1 1805/4885
US-20200299254-A1 AMBER ODORANT TRPA1, TAS2R41, OPRM1 ALDH1A1 655/4885TSHR 4165/4885TDP1 1805/4885

“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.