SCHEMBL21432069

SCHEMBL21432069

CCCCCC1CC=C(CCC=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR3 Q99500 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR4 O00206 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL21408664 1.00 CYP1A2 (0.35) CYP1A2TSHRCYP3A4CYP2C8CYP2D6
SCHEMBL21408653 0.99 TSHR (0.37) CYP1A2TSHRCYP3A4CYP2C8CYP2D6
SCHEMBL23151644 0.99 TSHR (0.37) CYP1A2TSHRCYP3A4CYP2C8CYP2D6
SCHEMBL21408492 0.96 TLR4 (0.35) CYP1A2TSHRTRPV1MEN1ALDH1A1
SCHEMBL29501693 0.96 TLR4 (0.35) CYP1A2TSHRTRPV1MEN1ALDH1A1
SCHEMBL21408683 0.96 TLR4 (0.35) CYP1A2TSHRTRPV1MEN1ALDH1A1
SCHEMBL21408495 0.90 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2A
SCHEMBL21408650 0.90 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2A
SCHEMBL9054098 0.83 ALDH1A1 (0.46) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL23151344 0.79 ALOX5 (0.44) TSHRMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707228-B1 ALDEHYDIC ODORANT FIRMENICH & CIE (CH) 2024-09-11 EP disclosed
CN-111587284-B Aldehyde odor agent 弗门尼舍有限公司 2024-05-17 CN disclosed
US-11530367-B2 Aldehydic odorant FIRMENICH SA (CH) 2022-12-20 US disclosed
US-11530367-B2 Aldehydic odorant FIRMENICH SA (CH) 2022-12-20 US disclosed
US-20210095225-A1 Aldehydic Odorant FIRMENICH SA (CH) 2021-04-01 US disclosed
US-20210095225-A1 Aldehydic Odorant FIRMENICH SA (CH) 2021-04-01 US disclosed
CN-111587284-A Aldehyde odorant 弗门尼舍有限公司 2020-08-25 CN disclosed
WO-2019185599-A1 ALDEHYDIC ODORANT FIRMENICH SA (CH) 2019-10-03 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 (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-11530367-B2 Aldehydic odorant ADH1A, ADH5, ADH1C CYP1A2 121/4885TSHR 4785/4885CYP3A4 324/4885
US-20210095225-A1 Aldehydic Odorant ADH1A, ADH5, ADH1C CYP1A2 121/4885TSHR 4785/4885CYP3A4 324/4885

“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.