SCHEMBL20109234

SCHEMBL20109234

C=CCC(C)C(=C)P1(=N)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20109207 0.84 CYP2C19 (0.32) CYP2C19ALDH1A1KDM4EUSP2ALOX15
SCHEMBL20109131 0.84 CYP2C19 (0.35) CYP2C19ALDH1A1MAPTKDM4EUSP2
SCHEMBL20109242 0.82 HSD17B10 (0.42) TSHR
SCHEMBL20109243 0.81 SIGMAR1 (0.32) ALDH1A1KDM4EALOX15TSHR
SCHEMBL20113534 0.78 OPRD1 (0.36) ALDH1A1GAAMAPTTSHR
SCHEMBL20109250 0.77 CYP2D6 (0.36) ALDH1A1KDM4E
SCHEMBL20109256 0.75 ALDH1A1 (0.41) ALDH1A1GAAMAPTTSHRSMN1; SMN2
SCHEMBL20113538 0.74 ALDH1A1 (0.39) ALDH1A1GAAMAPTTSHRSMN1; SMN2
SCHEMBL20109240 0.72 CHRNA7 (0.36) MAPTALOX15
SCHEMBL20109238 0.69 TRPA1 (0.32) ALDH1A1MAPTKDM4E

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-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 CYP2C19 2738/4885ALDH1A1 4621/4885TP53 1611/4885

“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.