SCHEMBL20109206

SCHEMBL20109206

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.35
TRPA1 O75762 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
IDO1 P14902 1/20 0.35
LMNA P02545 2/20 0.34
SLC6A2 P23975 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM1 P11229 1/20 0.34

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) HSD17B10HPGDTRPA1MEN1KMT2A
SCHEMBL20109132 0.83 HSD17B10 (0.45) HSD17B10HPGDTRPA1MEN1KMT2A
SCHEMBL20109207 0.82 CYP2C19 (0.32) TSHRALDH1A1
SCHEMBL20109215 0.82 ATM (0.33) HSD17B10CYP3A4TSHRLMNAMAPK1
SCHEMBL20109219 0.78 ATM (0.37) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL20109225 0.76 ALDH1A1 (0.41) TSHRLMNAALDH1A1MAPT
SCHEMBL20113438 0.71 MMP8 (0.42) HPGDMEN1KMT2ACYP3A4LMNA
SCHEMBL20113432 0.69 MMP8 (0.47) MEN1KMT2ATSHRSLC6A2SLC6A4
SCHEMBL20109212 0.68 TRPA1 (0.32) TRPA1SIGMAR1ALDH1A1MAPTGFER
SCHEMBL20109216 0.67 MAPT (0.37) HSD17B10MEN1KMT2ACYP3A4TSHR

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 4053/4885HPGD 504/4885TRPA1 2417/4885

“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.