SCHEMBL2769609

SCHEMBL2769609

C[SiH](C)OC(c1ccccc1O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.33
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CA12 O43570 1/20 0.31
GMNN O75496 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
FYN P06241 1/20 0.31
CA3 P07451 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
MMP9 P14780 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
SCHEMBL1465848 0.80
SCHEMBL6701853 0.79 ALDH1A1 (0.32) ALDH1A1TDP1CA2CA1CA12
SCHEMBL4610096 0.79 IDO1 (0.35) ALDH1A1CA2CA1CYP3A4ALOX15
SCHEMBL4298018 0.78 APOBEC3G (0.32) GABRA1
SCHEMBL2082916 0.75 LMNA (0.38) TSHRALDH1A1TDP1CA2CA1
SCHEMBL6252367 0.75
SCHEMBL4611395 0.74 PDE2A (0.33)
SCHEMBL4609578 0.74 PDE2A (0.33)
SCHEMBL4609739 0.74 PDE2A (0.33)
SCHEMBL28236194 0.72 GABRA1 (0.60) GABRA1GABRB2TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856278-B2 Lysophosphatidylserine derivative THE UNIVERSITY OF TOKYO (JP) 2018-01-02 US disclosed
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE THE UNIVERSITY OF TOKYO (JP) 2017-07-27 US disclosed
EP-1846354-B1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES FOR THE TREATMENT OF OCULAR HYPERTENSIVE CONDITIONS ALLERGAN INC (US) 2010-04-28 EP disclosed
US-7635716-B2 Substituted cyclopentanes or cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2009-12-22 US disclosed
US-7405240-B2 Substituted cyclopentanes or cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2008-07-29 US disclosed
US-20080119560-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2008-05-22 US disclosed
US-20080058414-A1 Substituted Cyclopentanes Or Cyclopentanones As Therapeutic Agents ALLERGAN, INC. (US) 2008-03-06 US disclosed
US-7323591-B2 Substituted cyclopentanes or cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2008-01-29 US disclosed
US-20070265464-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS OLD DAVID W 2007-11-15 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 (4 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-20080119560-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS PDE3A, PTGIR, PTGIS GABRA1 1730/4885GABRB2 1055/4885TSHR 3900/4885
US-20080058414-A1 Substituted Cyclopentanes Or Cyclopentanones As Therapeutic Agents CYC1, HSPE1, CYP27A1 GABRA1 968/4885GABRB2 651/4885TSHR 3306/4885
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE LPAR3, LPAR1, LPAR4 GABRA1 1291/4885GABRB2 1717/4885TSHR 526/4885
US-20070265464-A1 SUBSTITUTED CYCLOPENTANES OR CYCLOPENTANONES AS THERAPEUTIC AGENTS HCCS, MCL1, NME4 GABRA1 2144/4885GABRB2 1393/4885TSHR 3490/4885

“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.