SCHEMBL2887233

SCHEMBL2887233

CCC(CC)COC(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP3A4 P08684 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.35
CA2 P00918 1/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
MAPT P10636 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL21811653 0.85 TSHR (0.41) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL5472453 0.85 CYP3A4 (0.72) TSHRCYP3A4ATMTDP1RECQL
Hydrogen Sulfide SCHEMBL7866403 0.83 CYP3A4 (0.70) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL3740920 0.81 TSHR (0.62) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL3929486 0.81 MGAM (0.52) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL3628331 0.81 TSHR (0.52) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL9925375 0.80 MAPT (0.44) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL31011352 0.78 TSHR (0.54) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL3740929 0.77 TSHR (0.69) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL420275 0.77 CYP3A4 (0.75) TSHRCYP3A4ATMTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687657-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALITY CHEMICALS CORPORATION (US) 2010-03-30 US disclosed
US-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof IGM GROUP B.V. (NL) 2008-01-03 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 (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-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof ME2, ME3, MEP1A TSHR 1504/4885CYP3A4 552/4885ATM 2825/4885

“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.