SCHEMBL4139930

SCHEMBL4139930

COc1cc(C=O)c(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ LMNA P02545 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ PRKDC P78527 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ ERN1 O75460 5/20 0.41
▸ TLR2 O60603 1/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ TLR6 Q9Y2C9 1/20 0.38
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ ADRA1D P25100 1/20 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
SCHEMBL5643949 0.84 ALOX15 (0.62) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL16117692 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL10333651 0.80 HPGD (0.58) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL92809 0.79 CYP3A4 (0.64) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL13939800 0.77 ALOX15 (0.68) ALDH1A1KDM4ELMNACYP3A4ALOX15
SCHEMBL398164 0.76 CYP3A4 (0.74) ALDH1A1KDM4ELMNACYP3A4ALOX15
SCHEMBL5698339 0.74 ALDH1A1 (0.81) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL3136850 0.74 ALDH1A1 (0.90) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL17821658 0.73 HPGD (0.53) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL21455229 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1LMNA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655307-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS Givaudan SA (CH) 2013-10-30 — — EP claimed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 — — WO claimed
US-20090238785-A1 Novel Aldehydic Musks and Derivatives Thereof FLEXITRAL, INC. (US) 2009-09-24 — — US claimed
CN-101184744-A Aroma precursor and flavor precursor composition FLEXITRAL INC (US) 2008-05-21 — — CN claimed
EP-1848702-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS Flexitral, Inc. (US) 2007-10-31 — — EP claimed
EP-1771540-A4 NOVEL ALDEHYDIC MUSKS AND DERIVATIVES THEREOF FLEXITRAL INC (US) 2007-09-12 — — EP claimed
CN-1993454-A Novel aldehydic musks and derivatives thereof FLEXITRAL INC (US) 2007-07-04 — — CN claimed
EP-1771540-A1 NOVEL ALDEHYDIC MUSKS AND DERIVATIVES THEREOF Flexitral, Inc. (US) 2007-04-11 — — EP claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 — — US claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 — — WO claimed
WO-2006012215-A1 NOVEL ALDEHYDIC MUSKS AND DERIVATIVES THEREOF FLEXITRAL, INC. (US) 2006-02-02 — — WO claimed
EP-2655307-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS Givaudan SA (CH) 2013-10-30 — — EP disclosed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 — — WO disclosed
US-20090238785-A1 Novel Aldehydic Musks and Derivatives Thereof FLEXITRAL, INC. (US) 2009-09-24 — — US disclosed
US-20090238785-A1 Novel Aldehydic Musks and Derivatives Thereof FLEXITRAL, INC. (US) 2009-09-24 — — US disclosed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 — — US disclosed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 — — WO disclosed
WO-2006012215-A1 NOVEL ALDEHYDIC MUSKS AND DERIVATIVES THEREOF FLEXITRAL, INC. (US) 2006-02-02 — — WO disclosed
US-4774076-A DENTIFRICES, MOUTHWASHES LION CORPORATION (JP) 1988-09-27 — — US disclosed
US-4649044-A DISCOLORATION INHIBITION LION CORPORATION (JP) 1987-03-10 — — 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 (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-20090238785-A1 Novel Aldehydic Musks and Derivatives Thereof ALDH2, ME2, ALDH3A1 ALDH1A1 11/4885KDM4E 1020/4885TSHR 4437/4885
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 ALDH1A1 1201/4885KDM4E 2618/4885TSHR 2205/4885

“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.

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