SCHEMBL1109711

SCHEMBL1109711

CCCCCCCCCCONCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
CA9 Q16790 8/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
TSHR P16473 2/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
BLM P54132 1/20 0.41
EPHX1 P07099 1/20 0.40

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
SCHEMBL10606108 1.00 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL11519105 1.00 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL10520128 1.00 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL18628622 1.00 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL9766772 1.00 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL21314157 0.97
SCHEMBL309203 0.89
Phosphoric Acid SCHEMBL8402385 0.87 LPAR3 (0.53) EPHX1LPAR3LPAR1LPAR2
Sulfuric Acid Dimethyl Ester SCHEMBL27634417 0.83 CA2 (0.41) CA1CA2CA9CA12CA7
SCHEMBL10705860 0.82 EPHX1 (0.46) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3199610-B1 FUEL ADDITIVES AND FUELS CONTAINING THE ADDITIVES AFTON CHEMICAL CORP (US) 2021-05-26 EP disclosed
EP-3144370-B1 USE OF A FUEL COMPOSITION AFTON CHEMICAL CORP (US) 2018-11-14 EP disclosed
EP-3199610-A1 FUEL ADDITIVES AND FUELS CONTAINING THE ADDITIVES Afton Chemical Corporation (US) 2017-08-02 EP disclosed
EP-3144370-A1 POLYHYDROXYALKYL ETHER AMINES AND FUELS CONTAINING THEM Afton Chemical Corporation (US) 2017-03-22 EP disclosed
US-9382495-B1 Polyhydroxyalkyl ether amines and fuels containing them AFTON CHEMICAL CORPORATION (US) 2016-07-05 US disclosed
US-9353326-B1 Synergistic fuel additives and fuels containing the additives AFTON CHEMICAL CORPORATION (US) 2016-05-31 US disclosed
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 CA1 4751/4885CA2 4770/4885CA9 4261/4885

“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.