SCHEMBL17830301

SCHEMBL17830301

CCCCCCCCCCC(C)SCCSC(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
FDPS P14324 4/20 0.38
SPHK1 Q9NYA1 1/20 0.38
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
GPR84 Q9NQS5 2/20 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
SCHEMBL10643424 0.86 EPHX1 (0.48) OPRM1FDPSSPHK1EPHX1LMNA
SCHEMBL28101186 0.86 EPHX1 (0.48) OPRM1FDPSSPHK1EPHX1LMNA
SCHEMBL28101271 0.82 EPHX1 (0.48) OPRM1FDPSSPHK1EPHX1LMNA
SCHEMBL27738542 0.82 EPHX1 (0.48) OPRM1FDPSSPHK1EPHX1LMNA
SCHEMBL24307452 0.81 SPHK1 (0.45) OPRM1FDPSSPHK1EPHX1LMNA
SCHEMBL4186116 0.81 SPHK1 (0.45) OPRM1FDPSSPHK1EPHX1LMNA
SCHEMBL11805294 0.81 EPHX1 (0.40) OPRM1FDPSSPHK1EPHX1LMNA
SCHEMBL28588484 0.81 LMNA (0.45) OPRM1FDPSSPHK1EPHX1LMNA
SCHEMBL24072015 0.79 OPRM1 (0.44) OPRM1FDPSSPHK1LMNADNM1
Hydrochloric Acid SCHEMBL11189185 0.79 DNM1 (0.44) OPRM1FDPSSPHK1EPHX1DNM1

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-9603787-B2 Sunscreen formulations comprising Gemini surfactants and silicone based surfactants AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2017-03-28 US disclosed
US-20160166496-A1 Sunscreen Formulations Comprising Gemini Surfactants and Silicone Based Surfactants AKZO NOBEL CHEMICALS INTERNATIONAL B.V. 2016-06-16 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-20160166496-A1 Sunscreen Formulations Comprising Gemini Surfactants and Silicone Based Surfactants GSS, LAGE3, SMURF1 OPRM1 4201/4885FDPS 2579/4885SPHK1 945/4885

“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.