SCHEMBL2591855

SCHEMBL2591855

CC(C)(C)[Si](CCl)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.32
SLC6A2 P23975 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 1/20 0.31
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
CACNA1D Q01668 1/20 0.31

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
SCHEMBL14770816 0.79 TP53 (0.35) TAAR1SLC6A2TSHRATMESR1
SCHEMBL11899211 0.78 TAAR1 (0.30) TAAR1SLC6A2
SCHEMBL8701181 0.77 CYP2C19 (0.38) TAAR1SLC6A2HPGDTSHRESR1
SCHEMBL40797 0.77 TAAR1 (0.32) TAAR1SLC6A2ATMESR1ESR2
SCHEMBL2617396 0.77 TAAR1 (0.32) TAAR1SLC6A2HPGDATMESR1
SCHEMBL28491406 0.76 MAPK1 (0.33) TAAR1SLC6A2TSHRATMESR1
SCHEMBL28549833 0.76 TAAR1 (0.31) TAAR1SLC6A2ATMESR1ESR2
SCHEMBL8056864 0.74 MAPT (0.33) TAAR1SLC6A2NPC1RAB9A
SCHEMBL506540 0.74 NR1H2 (0.33) TSHRESR1ESR2ALDH1A1TDP1
SCHEMBL4591664 0.72 CYP2C19 (0.42) ALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153014-B Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer 安姆根有限公司 2021-06-01 CN disclosed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
CN-104144938-A AN EFFICIENT AND SCALABLE PROCESS FOR THE MANUFACTURE OF FONDAPARINUX SODIUM RELIABLE BIOPHARMACEUTICAL CORP 2014-11-12 CN disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A TAAR1 2936/4885SLC6A2 4570/4885HPGD 1088/4885

“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.