SCHEMBL6009640

SCHEMBL6009640

[CH2]CCCCCCC=CC=CC=CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
FASN P49327 1/20 0.38
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
MAPT P10636 2/20 0.33
CYP19A1 P11511 2/20 0.33
KDM4E B2RXH2 2/20 0.33
OXER1 Q8TDS5 1/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.33
FFAR1 O14842 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL7524781 1.00 ALDH1A1 (0.43) ALDH1A1TSHRFASNF7F3
SCHEMBL6009638 1.00 ALDH1A1 (0.43) ALDH1A1TSHRFASNF7F3
SCHEMBL6449865 1.00 ALDH1A1 (0.43) ALDH1A1TSHRFASNF7F3
SCHEMBL28731028 1.00 ALDH1A1 (0.43) ALDH1A1TSHRFASNF7F3
SCHEMBL6449868 1.00 ALDH1A1 (0.43) ALDH1A1TSHRFASNF7F3
SCHEMBL11511291 1.00 ALDH1A1 (0.43) ALDH1A1TSHRFASNF7F3
SCHEMBL11511290 1.00 ALDH1A1 (0.43) ALDH1A1TSHRFASNF7F3
SCHEMBL6816149 1.00 ALDH1A1 (0.43) ALDH1A1TSHRFASNF7F3
SCHEMBL18300536 1.00 ALDH1A1 (0.43) ALDH1A1TSHRFASNF7F3
SCHEMBL25185214 0.98 ALDH1A1 (0.40) ALDH1A1TSHRFASNF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
US-20060240527-A1 Process for producing fine self-aggregates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-10-26 US disclosed
EP-1512750-A1 PROCESS FOR PRODUCING FINE SELF-AGGREGATE Japan Science and Technology Agency (JP) 2005-03-09 EP disclosed
US-20050014937-A1 Fibrous nano self-assemblies JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-01-20 US disclosed
EP-1498386-A1 MICROFINE SELF-AGGREGATE Japan Science and Technology Agency (JP) 2005-01-19 EP disclosed
US-20040259812-A1 Nanoscale self-aggregates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-12-23 US disclosed
EP-1479799-A1 FIBROUS NANO SELF-ASSEMBLIES Japan Science and Technology Agency (JP) 2004-11-24 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 (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-20040259812-A1 Nanoscale self-aggregates MAN1B1, OSTC, ALG1 ALDH1A1 728/4885TSHR 3289/4885FASN 604/4885
US-20060240527-A1 Process for producing fine self-aggregates UGGT1, MGAM, ALDOA ALDH1A1 545/4885TSHR 2852/4885FASN 109/4885

“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.