SCHEMBL6283633

SCHEMBL6283633

CCCCCNCCCC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
ALDH1A1 P00352 1/20 0.65
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 4/20 0.41
ADH1B P00325 3/20 0.41
ADH1C P00326 3/20 0.41
ADH1A P07327 3/20 0.41
ADH7 P40394 3/20 0.41
ADH4 P08319 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 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
SCHEMBL6281353 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL17354992 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL18895699 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL25699172 0.98 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL26731994 0.95 TSHR (0.65) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL15649971 0.93 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL28393845 0.93 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL22099919 0.93 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL28438223 0.93 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL9815961 0.93 TSHR (0.62) TSHRALDH1A1S1PR2S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026564-A1 THERAPEUTIC OR PROPHYLACTIC METHOD FOR DIABETES USING COMBINATION MEDICINE Japan Tobacco Inc. (JP) 2022-07-13 EP disclosed
US-6919291-B2 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-07-19 US disclosed
US-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2004-06-10 US disclosed
EP-1349653-A2 FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2003-10-08 EP disclosed
WO-2002036639-A2 FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-05-10 WO 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-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization FZD7, FOS, COG4 TSHR 4247/4885ALDH1A1 3691/4885S1PR2 3125/4885

“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.