SCHEMBL21732696

SCHEMBL21732696

CCCCC(CC)COP(=O)(OCC(CC)CCCC)SCC(C)OP(=O)(OC(C)CSP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)SCC(C)OP(=O)(OC(C)CSP(=O)(OC(C)CSP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)OC(C)CSP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)SCCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.34
ENPP2 Q13822 6/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR1 Q92633 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LPAR6 P43657 1/20 0.33
LPAR4 Q99677 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LMNA P02545 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
SCHEMBL21732711 0.97 CYP3A4 (0.42) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL25670420 0.91 CYP3A4 (0.42) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL21732700 0.88 CYP3A4 (0.44) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL21732899 0.88 CYP3A4 (0.40) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL21732694 0.85 CYP3A4 (0.41) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL21732707 0.84 ALOX15 (0.32) CYP3A4TSHRTDP1L3MBTL1ENPP2
SCHEMBL18193206 0.82 CYP3A4 (0.43) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL25670454 0.82 CYP3A4 (0.49) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL21732699 0.81 ALOX15 (0.31) CYP3A4TSHRTDP1ALDH1A1
SCHEMBL20107506 0.80 CYP3A4 (0.38) CYP3A4TSHRTDP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667866-B2 Phosphorous containing compounds and uses thereof AFTON CHEMICAL CORPORATION (US) 2023-06-06 US disclosed
US-11066619-B2 Phosphorous containing compounds and uses thereof AFTON CHEMICAL CORPORATION (US) 2021-07-20 US disclosed
US-20200056114-A1 Phosphorous Containing Compounds and Uses Thereof AFTON CHEMICAL CORP (US) 2020-02-20 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 (3 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-20200056114-A1 Phosphorous Containing Compounds and Uses Thereof SOST, PHOSPHO1, PSPH CYP3A4 4745/4885TSHR 4882/4885TDP1 701/4885
US-11667866-B2 Phosphorous containing compounds and uses thereof SOST, PHOSPHO1, PSPH CYP3A4 4745/4885TSHR 4882/4885TDP1 701/4885
US-11066619-B2 Phosphorous containing compounds and uses thereof SOST, PHOSPHO1, PSPH CYP3A4 4745/4885TSHR 4882/4885TDP1 701/4885

“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.