SCHEMBL20109253

SCHEMBL20109253

C=C(C(CCCCCC)C(=O)OCC)P1(=N)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.38
PTPN1 P18031 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACE P12821 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL17596433 0.88 TDP1 (0.43) TDP1L3MBTL1PTPN1POLBMEN1
SCHEMBL17596430 0.88 TDP1 (0.43) TDP1L3MBTL1PTPN1POLBMEN1
SCHEMBL20109211 0.87 TDP1 (0.42) TDP1L3MBTL1PTPN1POLBMEN1
SCHEMBL20113631 0.84 ALDH1A1 (0.43) TDP1L3MBTL1MEN1KMT2AATM
SCHEMBL20113547 0.84 MMP8 (0.49) TDP1L3MBTL1POLBALDH1A1
SCHEMBL20113534 0.83 OPRD1 (0.36) TDP1L3MBTL1POLBMEN1KMT2A
SCHEMBL20113538 0.82 ALDH1A1 (0.39) POLBMEN1KMT2AALDH1A1
SCHEMBL20113632 0.81 MMP8 (0.47) MEN1KMT2AALDH1A1
SCHEMBL20109247 0.81 MMP8 (0.44) TDP1L3MBTL1POLBMEN1KMT2A
SCHEMBL20113465 0.79 MMP8 (0.42) L3MBTL1MEN1KMT2ANPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
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
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 (2 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 TDP1 2513/4885L3MBTL1 3799/4885PTPN1 1970/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 TDP1 2513/4885L3MBTL1 3799/4885PTPN1 1970/4885

“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.