SCHEMBL20109272

SCHEMBL20109272

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
MMP8 P22894 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
PIN1 Q13526 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL17596815 0.89 MMP8 (0.50) GAATDP1MMP8ALDH1A1TSHR
SCHEMBL17595869 0.89 ALDH1A1 (0.43) GAATDP1MMP8MAPTALDH1A1
SCHEMBL17596724 0.88 KMT2A (0.34) GAAMAPTALDH1A1TSHRKDM4E
SCHEMBL17596772 0.88 OPRD1 (0.37) GAATDP1MMP8MAPTALDH1A1
SCHEMBL20109283 0.88 TDP1 (0.39) GAATDP1MMP8MAPTALDH1A1
SCHEMBL17596430 0.86 TDP1 (0.43) TDP1ALDH1A1MEN1KMT2APOLB
SCHEMBL20109149 0.86 MMP8 (0.44) TDP1MMP8MAPTALDH1A1TSHR
SCHEMBL17596436 0.86 GAA (0.39) GAAMAPTALDH1A1TSHRPIN1
SCHEMBL20109280 0.86 GAA (0.39) GAAMAPTALDH1A1TSHRPIN1
SCHEMBL20109146 0.84 KMT2A (0.46) GAATDP1MMP8MAPTALDH1A1

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 GAA 4181/4885TDP1 2513/4885MMP8 4444/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 GAA 4181/4885TDP1 2513/4885MMP8 4444/4885

“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.