SCHEMBL3017216

SCHEMBL3017216

CC#CC(C)CCCCCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.45
OPRM1 P35372 1/20 0.42
LMNA P02545 2/20 0.39
DNM1 Q05193 2/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
CYP2D6 P10635 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL30117301 0.98 OPRM1 (0.44) SPHK1OPRM1LMNADNM1CYP2D6
SCHEMBL8603359 0.90
SCHEMBL29647839 0.87 OPRM1 (0.48) SPHK1OPRM1LMNADNM1TSHR
SCHEMBL16782308 0.87 OPRM1 (0.48) SPHK1OPRM1LMNADNM1TSHR
SCHEMBL1694745 0.80 SPHK1 (0.48) SPHK1OPRM1LMNADNM1TSHR
SCHEMBL1694200 0.80 SPHK1 (0.48) SPHK1OPRM1LMNADNM1TSHR
SCHEMBL30368458 0.79
SCHEMBL5561973 0.79
SCHEMBL5068321 0.79 SPHK1 (0.43) SPHK1OPRM1LMNAADH1BADH1C
SCHEMBL21218968 0.79 SPHK1 (0.43) SPHK1OPRM1LMNAADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100215603-A1 Body Surface Protecting Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-08-26 US disclosed
EP-1891924-A1 COMPOSITION FOR PROTECTION OF BODY SURFACE Asahi Kasei Chemicals Corporation (JP) 2008-02-27 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 (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-20100215603-A1 Body Surface Protecting Composition FABP2, CUTA, FABP1 SPHK1 3318/4885OPRM1 2061/4885LMNA 445/4885

“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.