SCHEMBL21222671

SCHEMBL21222671

CC1(C(=O)O)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMYD2 Q9NRG4 2/20 0.33
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 1/20 0.33
ABL1 P00519 1/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RBP4 P02753 1/20 0.32
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
CHRM3 P20309 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
SCHEMBL21222670 1.00 BACE1 (0.38) BACE1GAACYP3A4HTTSMN1; SMN2
SCHEMBL28725164 0.86 BACE1 (0.36) BACE1GAACYP3A4HTTSMN1; SMN2
SCHEMBL31716289 0.82 BACE1 (0.35) BACE1GAACYP3A4HTTSMN1; SMN2
SCHEMBL2219043 0.81 CYP3A4 (0.32) BACE1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL5912509 0.81 CYP3A4 (0.32) BACE1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2215215 0.81 CYP3A4 (0.32) BACE1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL25350773 0.80 BACE1 (0.36) BACE1GAACYP3A4HTTSMN1; SMN2
SCHEMBL26964847 0.80 BACE1 (0.40) BACE1GAACYP3A4HTTSMN1; SMN2
SCHEMBL28911939 0.80 GAA (0.37) BACE1GAACYP3A4HTTSMN1; SMN2
SCHEMBL517028 0.79 RBP4 (0.38) BACE1GAACYP3A4HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 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-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 BACE1 3266/4885GAA 568/4885CYP3A4 1066/4885

“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.