SCHEMBL20113635

SCHEMBL20113635

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.40
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL20113462 0.89 MEN1 (0.42) MAPTCYP2C19ALDH1A1GAAKMT2A
SCHEMBL17596434 0.88 ALDH1A1 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17596429 0.88 ALDH1A1 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20113434 0.87 ALDH1A1 (0.42) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20113532 0.86 MAPT (0.40) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL20109348 0.85 GFER (0.42) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20109254 0.81 GFER (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17596723 0.76 MEN1 (0.42) MAPTCYP2C19ALDH1A1GAAKMT2A
SCHEMBL17596721 0.76 MEN1 (0.42) MAPTCYP2C19ALDH1A1GAAKMT2A
SCHEMBL20113439 0.75 MEN1 (0.41) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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 MAPT 4371/4885CYP1A2 3840/4885CYP3A4 2080/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 MAPT 4371/4885CYP1A2 3840/4885CYP3A4 2080/4885

“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.