SCHEMBL2736661

SCHEMBL2736661

C[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
BTN3A1 O00481 2/20 0.38
KMT2A Q03164 1/20 0.38
MDM2 Q00987 1/20 0.38
PRSS1 P07477 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
SCHEMBL2736660 1.00 ALDH1A1 (0.43) ALDH1A1LMNAPGRADRA2AADRA2B
SCHEMBL8697437 0.87 LMNA (0.46) ALDH1A1LMNAADRB2ADRB1ADRB3
SCHEMBL3744909 0.83 PPARA (0.50) ATM
SCHEMBL3744912 0.83 PPARA (0.50) ATM
SCHEMBL1926547 0.81 NPC1 (0.47) ALDH1A1LMNAHTR2AKCNH2ADRB2
SCHEMBL1926548 0.81 NPC1 (0.47) ALDH1A1LMNAHTR2AKCNH2ADRB2
SCHEMBL3804363 0.80 MAPT (0.38) ALDH1A1LMNAPGRADRA2AADRA2B
SCHEMBL3804359 0.79 ADRB2 (0.41) ALDH1A1LMNAHTR2AKCNH2ADRB2
SCHEMBL3740151 0.79 MMP13 (0.41) ALDH1A1LMNAPGRADRA2AADRA2B
SCHEMBL5027923 0.78 GABRR1 (0.34) ALDH1A1CYP1A2BTN3A1

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
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R ALDH1A1 3078/4885LMNA 3511/4885PGR 38/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ALDH1A1 3580/4885LMNA 4604/4885PGR 646/4885

“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.