SCHEMBL20109132

SCHEMBL20109132

C=C(C(C)Cc1ccccc1)P1(=O)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRM1 P11229 3/20 0.36
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL20109242 0.83 HSD17B10 (0.42) HSD17B10CYP3A4TSHRLMNAHPGD
SCHEMBL20109206 0.83 HSD17B10 (0.42) HSD17B10CYP3A4TSHRLMNAHPGD
SCHEMBL17596724 0.76 KMT2A (0.34) TSHRLMNANPC1RAB9AMEN1
SCHEMBL20109318 0.75 CES2 (0.37) TSHRLMNAHPGDNPC1RAB9A
SCHEMBL20109157 0.72 HSD17B10 (0.41) HSD17B10CYP3A4TSHRHPGDNPC1
SCHEMBL20109181 0.72 HSD17B10 (0.41) HSD17B10CYP3A4TSHRHPGDNPC1
SCHEMBL17595853 0.72 MMP8 (0.43) CYP3A4LMNAHPGDMEN1KMT2A
SCHEMBL17596740 0.69 MAPT (0.34) HSD17B10CYP3A4TSHRLMNANPC1
SCHEMBL17596817 0.69 MMP8 (0.50) TSHRTDP1POLBGFER
SCHEMBL17596737 0.68 PHGDH (0.35) LMNANPC1RAB9AMEN1KMT2A

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 HSD17B10 4053/4885CYP3A4 2080/4885TSHR 4125/4885

“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.