SCHEMBL4401377

SCHEMBL4401377

CCCCC(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK1E P49674 1/20 0.30
MMP1 P03956 4/20 0.30
MMP7 P09237 3/20 0.30
MMP12 P39900 3/20 0.30
MMP13 P45452 3/20 0.30
ACE P12821 2/20 0.30
LTA4H P09960 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11233661 0.93 CSNK1E (0.38) CNR2ALDH1A1MEN1KMT2ACSNK1E
SCHEMBL11245171 0.93 CSNK1E (0.38) CNR2ALDH1A1MEN1KMT2ACSNK1E
SCHEMBL11242337 0.93 CSNK1E (0.38) CNR2ALDH1A1MEN1KMT2ACSNK1E
SCHEMBL11240071 0.93 CSNK1E (0.38) CNR2ALDH1A1MEN1KMT2ACSNK1E
SCHEMBL11249146 0.93 CSNK1E (0.38) CNR2ALDH1A1MEN1KMT2ACSNK1E
SCHEMBL11237057 0.93 CSNK1E (0.38) CNR2ALDH1A1MEN1KMT2ACSNK1E
SCHEMBL4402575 0.89 AOC3 (0.32) SMN1; SMN2
SCHEMBL9492601 0.85 CNR2 (0.33) PCSK9CNR2POLBALDH1A1KDM4E
SCHEMBL11789090 0.83 CYP3A4 (0.33)
SCHEMBL10343332 0.83 CYP3A4 (0.33) POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107075244-A Polyketone resin composition having excellent wear resistance 株式会社晓星 2017-08-18 CN disclosed
CN-106661322-A Polyketone resin composition having excellent oil resistance 株式会社晓星 2017-05-10 CN disclosed
CN-106604950-A Polyketone resin composition having outstanding water resistance 株式会社晓星 2017-04-26 CN disclosed
US-7632827-B2 Antitumor agents; cytotoxic toward cells in vivo, in vitro THE UNIVERSITY OF HONG KONG (HK) 2009-12-15 US disclosed
US-20080166429-A1 ANTI-CANCER PHOSPHINE CONTAINING [AuIIIm(CNC)mL]n+ COMPLEXES AND DERIVATIVES THEREOF AND METHODS FOR TREATING CANCER USING SUCH COMPOSITIONS THE UNIVERSITY OF HONG KONG 2008-07-10 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-20080166429-A1 ANTI-CANCER PHOSPHINE CONTAINING [AuIIIm(CNC)mL]n+ COMPLEXES AND DERIVATIVES THEREOF AND METHODS FOR TREATING CANCER USING SUCH COMPOSITIONS NCL, NPM1, MCL1 PCSK9 4615/4885CNR2 3699/4885POLB 1551/4885

“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.