SCHEMBL12814682

SCHEMBL12814682

Cc1ccccc1CC1=CC([Si](C)(C)C)=CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
AR P10275 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TYMP P19971 1/20 0.33
EGFR P00533 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LTA4H P09960 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR6 P50406 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 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
SCHEMBL12814568 0.88 ESR1 (0.32) P2RX7
SCHEMBL12815341 0.84 MGAM (0.33)
SCHEMBL12816310 0.81 MEN1 (0.34) P2RX7ALDH1A1KMT2AUSP2
SCHEMBL12814937 0.81 TAAR1 (0.38) TAAR1ALDH1A1HPGDKMT2A
SCHEMBL12815881 0.73
SCHEMBL2090458 0.67 TAAR1 (0.56) CYP2A13TAAR1ARP2RX7ALDH1A1
SCHEMBL29477327 0.67 TAAR1 (0.56) CYP2A13TAAR1ARP2RX7ALDH1A1
SCHEMBL12814948 0.67 TAAR1 (0.39) CYP2A13TAAR1ARP2RX7ALDH1A1
SCHEMBL11200954 0.65 TAAR1 (0.54) CYP2A13TAAR1ARP2RX7ALDH1A1
SCHEMBL29772212 0.65 TAAR1 (0.54) CYP2A13TAAR1ARP2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 CYP2A13 224/4885TAAR1 794/4885AR 3303/4885

“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.