SCHEMBL2390135

SCHEMBL2390135

CCP(CC)CC.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
WDR5 P61964 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
CYP2A6 P11509 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPRT1 P00492 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX5 P09917 1/20 0.31
DNMT1 P26358 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
DRD1 P21728 2/20 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
SCHEMBL146878 0.88 ALDH1A1 (0.44) MAPTWDR5TDP1CYP2A6TSHR
SCHEMBL10323632 0.88 ALDH1A1 (0.44) MAPTWDR5TDP1CYP2A6TSHR
SCHEMBL29496111 0.88 ALDH1A1 (0.44) MAPTWDR5TDP1CYP2A6TSHR
SCHEMBL29350037 0.88 ALDH1A1 (0.44) MAPTWDR5TDP1CYP2A6TSHR
SCHEMBL5107 0.88 ALDH1A1 (0.44) MAPTWDR5TDP1CYP2A6TSHR
SCHEMBL729691 0.86 ALDH1A1 (0.42) MAPTWDR5TDP1CYP2A6TSHR
Phosphine SCHEMBL8373615 0.86 ALDH1A1 (0.42) MAPTWDR5TDP1CYP2A6TSHR
SCHEMBL3416712 0.86 ALDH1A1 (0.42) MAPTWDR5TDP1CYP2A6TSHR
SCHEMBL356363 0.86 ALDH1A1 (0.42) MAPTWDR5TDP1CYP2A6TSHR
SCHEMBL9058987 0.86 ALDH1A1 (0.42) MAPTWDR5TDP1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 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 (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-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof ACSL1, ACSL3, HACL2 MAPT 4813/4885WDR5 4037/4885TDP1 4708/4885

“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.