Sugi Predict

Sugi Predict / Compounds / SCHEMBL6633910

SCHEMBL6633910

SCHEMBL6633910

O=C/C=C/COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ CCNB2 O95067 2/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ CDK4 P11802 2/20 0.49
▸ CCNB1 P14635 2/20 0.49
▸ CCND1 P24385 2/20 0.49
▸ CCNB3 Q8WWL7 2/20 0.49
▸ ALOX5 P09917 2/20 0.44
▸ TK1 P04183 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ AGXT P21549 1/20 0.42
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37

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
SCHEMBL6633911 1.00 TSHR (0.52) TSHRCCNB2CDK1CDK4CCNB1
SCHEMBL7266237 1.00 TSHR (0.52) TSHRCCNB2CDK1CDK4CCNB1
SCHEMBL1524411 0.83 TSHR (0.67) TSHRALOX5TK1IDO1AGXT
SCHEMBL1524101 0.83 TSHR (0.67) TSHRALOX5TK1IDO1AGXT
SCHEMBL1524098 0.83 TSHR (0.67) TSHRALOX5TK1IDO1AGXT
Ammonia Solution, Strong SCHEMBL7095980 0.81 TSHR (0.64) TSHRALOX5TK1IDO1AGXT
SCHEMBL7760111 0.81 TSHR (0.52) TSHRCCNB2CDK1CDK4CCNB1
SCHEMBL7760105 0.81 TSHR (0.52) TSHRCCNB2CDK1CDK4CCNB1
SCHEMBL17688804 0.81 TSHR (0.52) TSHRALOX5TK1IDO1AGXT
SCHEMBL5755068 0.80 TSHR (0.56) TSHRCCNB2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11921105-B2 Method for identifying positive allosteric modulators for odorant receptors FIRMENICH SA (CH) 2024-03-05 — — US claimed
US-20200408738-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS FIRMENICH SA (CH) 2020-12-31 — — US claimed
EP-3703823-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK Firmenich SA (CH) 2020-09-09 — — EP claimed
EP-3658236-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS Firmenich SA (CH) 2020-06-03 — — EP claimed
CN-111050856-B Methods for identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2024-12-31 — — CN disclosed
US-11921105-B2 Method for identifying positive allosteric modulators for odorant receptors FIRMENICH SA (CH) 2024-03-05 — — US disclosed
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK FIRMENICH SA (CH) 2023-04-27 — — US disclosed
US-11530366-B2 Use of volatile compounds to modulate the perception of musk FIRMENICH SA (CH) 2022-12-20 — — US disclosed
US-20200408738-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS FIRMENICH SA (CH) 2020-12-31 — — US disclosed
US-20200385648-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK FIRMENICH, SA (CH) 2020-12-10 — — US disclosed
EP-3703823-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK Firmenich SA (CH) 2020-09-09 — — EP disclosed
EP-3658236-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS Firmenich SA (CH) 2020-06-03 — — EP disclosed
EP-1412335-A4 ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2004-11-17 — — EP disclosed
US-6784323-B2 Enantioselective transformation of α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-08-31 — — US disclosed
EP-1412335-A2 ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-04-28 — — EP disclosed
US-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-06-12 — — US disclosed
WO-2003002491-A2 ENANTIOSELECTIVE TRANSFORMATION OF α, β-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-01-09 — — 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 (4 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-11530366-B2 Use of volatile compounds to modulate the perception of musk TRPA1, CMPK1, PLK3 TSHR 4454/4885CCNB2 2543/4885CDK1 1621/4885
US-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts ALDH1A1, GAR1, ALDH1B1 TSHR 3839/4885CCNB2 1422/4885CDK1 2834/4885
US-20200385648-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, CMPK1, PLK3 TSHR 4454/4885CCNB2 2543/4885CDK1 1621/4885
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, TRPM5, TRPM8 TSHR 4418/4885CCNB2 1940/4885CDK1 1523/4885

“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.