SCHEMBL4183657

SCHEMBL4183657

CCCCC(CC)CP(O)(=S)CC(C)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
CA2 P00918 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL5567067 0.83 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL969883 0.82 CYP3A4 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4188074 0.82 ALDH1A1 (0.34) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL665109 0.80
SCHEMBL4183656 0.76 CYP3A4 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4188071 0.75 CYP3A4 (0.34) ALDH1A1CYP3A4CA2L3MBTL1FDPS
SCHEMBL989187 0.74 CYP3A4 (0.33) ALDH1A1CYP3A4CA2L3MBTL1FDPS
SCHEMBL11402157 0.73 CYP3A4 (0.41) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4193287 0.72 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8019102 0.71 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2

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
EP-2029613-B1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC CANADA INC (CA) 2016-07-20 EP claimed
US-20140275615-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC TECHNOLOGY CORP. (US) 2014-09-18 US claimed
US-20090165598-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC CANADA INC. (CA) 2009-07-02 US claimed

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-20140275615-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION PHOSPHO1, PRDX2, PRDX1 ALDH1A1 2940/4885TDP1 3464/4885CYP3A4 4229/4885
US-20090165598-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION PRDX2, PRDX1, PRDX6 ALDH1A1 2637/4885TDP1 3540/4885CYP3A4 4136/4885

“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.