SCHEMBL1109718

SCHEMBL1109718

CCCC[CH]OCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 2/20 0.40
LPAR3 Q9UBY5 5/20 0.38
LPAR2 Q9HBW0 4/20 0.38
LPAR1 Q92633 4/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
DNM1 Q05193 3/20 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
SCHEMBL981112 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL983048 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL980258 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL983036 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL352158 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL980131 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL980849 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL981238 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL982550 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL981134 1.00 TSHR (0.40) TSHRTHRBLPAR3LPAR2LPAR1

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-2921518-A1 ORGANOPOLYSILOXANE HAVING AMIDE GROUP, AND COSMETIC MATERIAL CONTAINING SAME Shin-Etsu Chemical Co., Ltd. (JP) 2015-09-23 EP disclosed
EP-2280040-B1 Organopolysiloxane having amide group, and cosmetic material containing same SHINETSU CHEMICAL CO (JP) 2015-04-15 EP disclosed
US-8398964-B2 Organopolysiloxane having amide group, and cosmetic material containing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-19 US disclosed
US-20110027213-A1 ORGANOPOLYSILOXANE HAVING AMIDE GROUP, AND COSMETIC MATERIAL CONTAINING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-03 US disclosed
EP-2280040-A1 Organopolysiloxane having amide group, and cosmetic material containing same Shin-Etsu Chemical Co., Ltd. (JP) 2011-02-02 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-20110027213-A1 ORGANOPOLYSILOXANE HAVING AMIDE GROUP, AND COSMETIC MATERIAL CONTAINING SAME HRH3, H1-3, HRH1 TSHR 384/4885THRB 993/4885LPAR3 383/4885

“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.