SCHEMBL6522017

SCHEMBL6522017

CC(C)(C)[Si](C)(C)OCCC#Cc1cccc(CO)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
HRH3 Q9Y5N1 8/20 0.37
CYP2D6 P10635 2/20 0.37
ALK Q9UM73 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
EGFR P00533 2/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HAO1 Q9UJM8 2/20 0.31
PRKCI P41743 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL16895293 0.84 PPARG (0.33) FFAR1HRH3
SCHEMBL4951364 0.83 SLC7A5 (0.39) FFAR1HRH3CYP2D6ALKHAO1
SCHEMBL5888774 0.82 ASIC3 (0.39) FFAR1HRH3CYP2D6ALKASIC3
SCHEMBL7396970 0.81 CYP1A2 (0.39) HRH3HTR2CHTR2B
SCHEMBL1246811 0.75 PRKCI (0.33) ALKPRKCI
SCHEMBL21068770 0.74 DUT (0.37) PRKCI
SCHEMBL20496654 0.74 DUT (0.39) HRH3
SCHEMBL17367310 0.73 SHMT1 (0.33)
SCHEMBL501378 0.73 MRGPRX4 (0.41) PRKCI
SCHEMBL16895309 0.73 KDR (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 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 (2 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 FFAR1 934/4885HRH3 98/4885CYP2D6 648/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 FFAR1 934/4885HRH3 98/4885CYP2D6 648/4885

“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.