SCHEMBL16616720

SCHEMBL16616720

CC(C)CCCCOC(=O)C=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
AKR1B10 O60218 6/20 0.58
AKR1B1 P15121 6/20 0.58
ESR1 P03372 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
APP P05067 5/20 0.50
MAOB P27338 1/20 0.50
ALOX5 P09917 1/20 0.48
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL6567707 0.99 ALDH1A1 (0.59) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL5013115 0.96 ALDH1A1 (0.61) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL81836 0.90 LMNA (0.72) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL81835 0.90 LMNA (0.72) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL29817892 0.89 ESR1 (0.49) ALDH1A1LMNATDP1AKR1B10AKR1B1
Methyl Alcohol SCHEMBL21995794 0.88 LMNA (0.70) ALDH1A1LMNATDP1AKR1B10AKR1B1
Myristic Acid SCHEMBL27577976 0.88 APP (0.52) ALDH1A1LMNATDP1AKR1B10AKR1B1
SCHEMBL15347088 0.88 AKR1B10 (0.73) ALDH1A1LMNAAKR1B10AKR1B1MEN1
SCHEMBL13834132 0.88 AKR1B10 (0.73) ALDH1A1LMNAAKR1B10AKR1B1MEN1
SCHEMBL24691226 0.88 LMNA (0.59) ALDH1A1LMNATDP1AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730875-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2017-08-15 US disclosed
US-9458081-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-10-04 US disclosed
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA 2016-05-26 US disclosed
US-9284261-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-03-15 US disclosed
US-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 US disclosed
US-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 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 (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-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 ALDH1A1 236/4885LMNA 1058/4885TDP1 3807/4885
US-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 ALDH1A1 234/4885LMNA 1414/4885TDP1 4021/4885
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 ALDH1A1 234/4885LMNA 1414/4885TDP1 4021/4885

“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.