SCHEMBL31380967

SCHEMBL31380967

CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
ANPEP P15144 5/20 0.35
ERAP1 Q9NZ08 2/20 0.35
ERAP2 Q6P179 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 2/20 0.32
RNPEP Q9H4A4 1/20 0.32
GMNN O75496 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC7A5 Q01650 1/20 0.32
LAP3 P28838 2/20 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
SCHEMBL23846021 1.00 TSHR (0.44) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL17274592 1.00 TSHR (0.44) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL19819960 1.00 TSHR (0.44) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL599901 0.95 TSHR (0.47) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL671345 0.86 TSHR (0.35) TSHRALDH1A1MAPK1
SCHEMBL9438419 0.86 TSHR (0.35) TSHRALDH1A1MAPK1
SCHEMBL1329940 0.83 ALDH1A1 (0.33) TSHRALDH1A1MAPK1RNPEPSLC7A5
SCHEMBL18897588 0.83 ALDH1A1 (0.40) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL21830468 0.83 ALDH1A1 (0.33) TSHRALDH1A1MAPK1RNPEPSLC7A5
SCHEMBL20684039 0.83 ALDH1A1 (0.33) TSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409480-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 4,6,8,10,16-PENTAMETHYLDOCOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-12-12 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-20240409480-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 4,6,8,10,16-PENTAMETHYLDOCOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR WEE1, CYP51A1, CYP4Z1 TSHR 4093/4885ALDH1A1 502/4885MAPK1 712/4885

“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.