SCHEMBL18092233

SCHEMBL18092233

CCC(CCCC(C)C)CC(C)C=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21142990 0.86 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2CYP3A4TDP1
SCHEMBL22032449 0.82 ADH1B (0.44) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL6859062 0.81 TSHR (0.37) ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL7594004 0.78 LMNA (0.43) LMNAALDH1A1TSHRCYP3A4BLM
SCHEMBL9771399 0.75 LMNA (0.46) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL276563 0.75 LMNA (0.46) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL2687485 0.75 LMNA (0.50) LMNAALDH1A1TSHRCYP3A4BLM
SCHEMBL18092225 0.73 TSHR (0.41) LMNAALDH1A1TSHRCYP3A4BLM
SCHEMBL29883983 0.73 ALDH1A1 (0.40) LMNAALDH1A1TSHRCYP3A4TDP1
SCHEMBL812730 0.71 LMNA (0.46) LMNAALDH1A1TSHRSMN1; SMN2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106010788-B Novel aldehyde compounds and their use in perfuming compositions 国际香料和香精公司 2021-04-23 CN claimed
US-10150722-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-12-11 US claimed
EP-3072876-B1 ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2018-10-10 EP claimed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US claimed
US-9850191-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-12-26 US claimed
CN-106010788-A Novel aldehyde compounds and their use in perfume compositions 国际香料和香精公司 2016-10-12 CN claimed
US-20160281027-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-09-29 US claimed
EP-3072876-A1 ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS Closson, Adam P. (US) 2016-09-28 EP claimed
CN-106010788-B Novel aldehyde compounds and their use in perfuming compositions 国际香料和香精公司 2021-04-23 CN disclosed
US-10150722-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-12-11 US disclosed
EP-3072876-B1 ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2018-10-10 EP disclosed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US disclosed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US disclosed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US disclosed
CN-106010788-A Novel aldehyde compounds and their use in perfume compositions 国际香料和香精公司 2016-10-12 CN disclosed
US-20160281027-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-09-29 US disclosed
US-20160281027-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-09-29 US disclosed
US-20160281027-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-09-29 US disclosed
EP-3072876-A1 ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS Closson, Adam P. (US) 2016-09-28 EP disclosed
EP-3072876-A1 ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS Closson, Adam P. (US) 2016-09-28 EP 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 (3 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-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS ALDH1A1, TRPA1, ALDH2 LMNA 4040/4885ALDH1A1 1/4885TSHR 4879/4885
US-10150722-B2 Aldehyde compounds and their use in perfume compositions ALDH1A1, ALDH2, ADH5 LMNA 3615/4885ALDH1A1 1/4885TSHR 4881/4885
US-20160281027-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS ALDH1A1, TRPA1, ALDH2 LMNA 4040/4885ALDH1A1 1/4885TSHR 4879/4885

“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.