SCHEMBL987730

SCHEMBL987730

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.44
▸ SIGMAR1 Q99720 4/20 0.44
▸ SLC6A2 P23975 3/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ TRPA1 O75762 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SLC18A2 Q05940 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CALM1 P0DP23 1/20 0.39
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ADRA1A P35348 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
SCHEMBL16369340 0.80 TAAR1 (0.44) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL989251 0.78 IDO1 (0.42) TAAR1MAOACYP2A6TP53
SCHEMBL18221776 0.76 TAAR1 (0.41) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2018585 0.76 TSHR (0.42) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28443883 0.75 TAAR1 (0.40) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28454966 0.75 SIGMAR1 (0.42) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
Lithium Ion SCHEMBL752620 0.73 TAAR1 (0.39) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL751758 0.73 TAAR1 (0.39) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
Potassium Ion SCHEMBL754107 0.73 TAAR1 (0.39) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28630832 0.72 SIGMAR1 (0.38) TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3

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 TAAR1 107/4885SIGMAR1 227/4885SLC6A2 1215/4885

“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.

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