SCHEMBL987729

SCHEMBL987729

Cc1ccccc1[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
TSHR P16473 1/20 0.43
NQO2 P16083 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL989253 0.81 TRPA1 (0.39) ACHETSHRALDH1A1CA1CA2
SCHEMBL20272488 0.78 TSHR (0.41) ACHETSHRALDH1A1CA1CA2
SCHEMBL5497935 0.73 GABRA1 (0.44) TSHRALDH1A1CA1CA2CA7
SCHEMBL28728614 0.73 TSHR (0.36) ACHETSHRALDH1A1CA1CA2
SCHEMBL3162440 0.72 TSHR (0.45) ACHETSHRNQO2ALDH1A1CA1
SCHEMBL1068212 0.71 CA12 (0.35) TSHRALDH1A1CA1CA2CA7
SCHEMBL1054610 0.70 TSHR (0.50) ACHETSHRNQO2ALDH1A1CA1
SCHEMBL8161345 0.70 TSHR (0.50) ACHETSHRNQO2ALDH1A1CA1
SCHEMBL987121 0.70 TSHR (0.50) ACHETSHRNQO2ALDH1A1CA1
SCHEMBL1314101 0.70 TSHR (0.38) ACHETSHRALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275427-B1 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO PERFUMERY CO LTD (JP) 2013-09-11 EP disclosed
US-8404879-B2 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-26 US disclosed
EP-2275427-A1 Ruthenium-diamine complex and methods for producing optically active compounds Takasago International Corporation (JP) 2011-01-19 EP disclosed
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-01-13 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-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH5, AOC1, ADH1A ACHE 113/4885TSHR 2921/4885NQO2 1698/4885

“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.