SCHEMBL20109131

SCHEMBL20109131

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20109234 0.84 CYP2C19 (0.32) CYP2C19ALDH1A1KDM4ESMN1; SMN2USP2
SCHEMBL20109207 0.84 CYP2C19 (0.32) CYP2C19ALDH1A1KDM4ESMN1; SMN2USP2
SCHEMBL20109132 0.82 HSD17B10 (0.45) TSHRHSD17B10LMNA
SCHEMBL20109134 0.81 DHODH (0.33) ALDH1A1KDM4ESMN1; SMN2TSHRLMNA
SCHEMBL17596772 0.79 OPRD1 (0.37) ALDH1A1KDM4ETSHRHSD17B10MAPT
SCHEMBL20109150 0.77 CYP2D6 (0.36) CYP2C19ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL20109145 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2USP2TSHRMAPT
SCHEMBL17596724 0.75 KMT2A (0.34) ALDH1A1KDM4ESLC6A2SLC6A3TSHR
SCHEMBL17596436 0.74 GAA (0.39) ALDH1A1SMN1; SMN2TSHRLMNAMAPT
SCHEMBL20109140 0.72 CHRNA7 (0.36) ALDH1A1ALOX15TSHRHSD17B10LMNA

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 4621/4885KDM4E 3603/4885

“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.