SCHEMBL20113434

SCHEMBL20113434

C=C(CC(=O)OCC)P1(=S)N(c2ccc(OC)cc2)CCN1c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 5/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 5/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL20113439 0.89 MEN1 (0.41) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL17596429 0.87 ALDH1A1 (0.43) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL20113635 0.87 MAPT (0.44) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL17596434 0.87 ALDH1A1 (0.43) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL20113904 0.86 MAPT (0.39) ALDH1A1GAAMAPTKMT2AHPGD
SCHEMBL20109348 0.84 GFER (0.42) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL20109217 0.80 GFER (0.41) MAPTCYP3A4CYP2C19KMT2AHPGD
SCHEMBL17596723 0.75 MEN1 (0.42) ALDH1A1GAAMAPTCYP2C19KMT2A
SCHEMBL20113462 0.75 MEN1 (0.42) ALDH1A1GAAMAPTCYP2C19KMT2A
SCHEMBL17596721 0.75 MEN1 (0.42) ALDH1A1GAAMAPTCYP2C19KMT2A

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 2 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

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 ALDH1A1 4621/4885GAA 4181/4885MAPT 4371/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885GAA 4181/4885MAPT 4371/4885

“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.