SCHEMBL17469999

SCHEMBL17469999

C[C@@H](C1=C(P(c2ccccc2)c2ccccc2)CC=C1)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL13264513 0.87 CYP3A4 (0.31) CYP3A4TDP1
SCHEMBL17058591 0.82 CYP3A4 (0.31) CYP3A4TDP1
SCHEMBL19286240 0.81 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL12951432 0.78 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL16328150 0.75 MEN1 (0.34) MEN1MAPTCYP2C9KMT2ACYP3A4
SCHEMBL17058646 0.72 CHRNA7 (0.33)
SCHEMBL15344680 0.72 ROCK2 (0.33)
SCHEMBL19286305 0.70 HTT (0.42) MEN1MAPTKMT2ATDP1
SCHEMBL6544819 0.68 CYP3A4 (0.39) CYP3A4TDP1
SCHEMBL16327316 0.66 CYP3A4 (0.31) CYP3A4TDP1

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-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 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-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations SOD1, AOC3, CBR1 MEN1 3293/4885MAPT 3139/4885CYP2C9 2179/4885

“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.