SCHEMBL230034

SCHEMBL230034

Cc1ccc2ccccc2c1C(=O)c1c(C)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
CYP2A6 P11509 3/20 0.54
CYP1A2 P05177 3/20 0.54
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
CYP2C19 P33261 1/20 0.45
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL29626829 1.00 TSHR (0.54) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL17427553 0.91 ABCG2 (0.53) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL8556933 0.90 L3MBTL1 (0.53) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL6238903 0.87 BCL2L1 (0.55) TSHRCYP1A2ALDH1A1HPGDKMT2A
SCHEMBL4835012 0.86 NCEH1 (0.53) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL224932 0.86 HPGD (0.59) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL11575609 0.86 TSHR (0.52) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL2126233 0.86 HPGD (0.53) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
Sulfuric Acid SCHEMBL10833755 0.84 L3MBTL1 (0.48) TSHRCYP2A6CYP1A2TAS1R3TAS1R1
SCHEMBL6917031 0.84 CYP1A2 (0.57) TSHRCYP2A6CYP1A2TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN claimed
CN-113194912-B Antiperspirant or body fragrance composition 弗门尼舍有限公司 2023-07-07 CN claimed
CN-115698247-A Soap composition 弗门尼舍有限公司 2023-02-03 CN claimed
EP-3383359-A1 A FRAGRANCE COMPOSITION Symrise AG (DE) 2018-10-10 EP claimed
WO-2017097434-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2017-06-15 WO claimed
WO-2017097438-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2017-06-15 WO claimed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
WO-2002039971-A2 FRAGRANCE ENHANCING COMPOSITIONS WITH NON-POLYCYCLICS COLGATE-PALMOLIVE COMPANY (US) 2002-05-23 WO claimed
EP-1061894-A1 FRAGRANCE ENHANCING COMPOSITIONS FOR COSMETIC PRODUCTS Colgate-Palmolive Company (US) 2000-12-27 EP claimed
US-5977227-A Method for forming aqueous dispersions of ketone resins NCR CORPORATION (US) 1999-11-02 US claimed
WO-1999044575-A1 FRAGRANCE ENHANCING COMPOSITIONS FOR COSMETIC PRODUCTS COLGATE-PALMOLIVE COMPANY (US) 1999-09-10 WO claimed
CN-122095070-A Washing liquid and washing method 2026-05-26 CN disclosed
CN-122095069-A Washing liquid and washing method 2026-05-26 CN disclosed
CN-122070516-A Negative photosensitive composition, photosensitive resist film, method for producing hollow structure, and method for forming pattern 东京应化工业株式会社 2026-05-19 CN disclosed
US-4250201-A ISOMERIZATION OF CARYOPHYLLENE OXIDE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-02-10 US disclosed
US-4247409-A ISOMERIZATION INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-01-27 US disclosed
US-4229599-A ISOMERIZATION OF CARYOPHYLLENE OXIDE USING ALUMINUM ISOPROPOXIDE CATALYST INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-10-21 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 (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-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 TSHR 3408/4885CYP2A6 3103/4885CYP1A2 1255/4885

“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.