SCHEMBL17345798

SCHEMBL17345798

c1ccc(P(c2ccccc2)N(c2ccc(Cc3ccc(N(P(c4ccccc4)c4ccccc4)P(c4ccccc4)c4ccccc4)cc3)cc2)P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LTA4H P09960 4/20 0.36
IDH1 O75874 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G2A P14555 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 2/20 0.34
SLC22A2 O15244 1/20 0.33
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM2 Q14416 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL17342250 0.91 ALDH1A1 (0.44) CALM1CYP3A4TDP1ALDH1A1TSHR
SCHEMBL16755617 0.82 TDP1 (0.43) CYP3A4TDP1ALDH1A1CYP2C9MEN1
SCHEMBL20025824 0.77 CYP2C19 (0.44) CYP3A4TDP1ALDH1A1TSHRLMNA
SCHEMBL17345797 0.75 LTA4H (0.44) TSHRLTA4HLMNACA1CA2
SCHEMBL21192565 0.73 TDP1 (0.53) TDP1ALDH1A1TSHRMAPK1LMNA
SCHEMBL21192566 0.73 TDP1 (0.53) TDP1ALDH1A1TSHRMAPK1LMNA
SCHEMBL19265441 0.72 ALDH1A1 (0.48) CYP3A4TDP1ALDH1A1TSHRLMNA
SCHEMBL14938874 0.71 TDP1 (0.38) CYP3A4TDP1ALDH1A1CYP2C9MEN1
SCHEMBL17345839 0.71 ESR1 (0.39) CALM1CYP3A4ALDH1A1TSHRLTA4H
SCHEMBL9768685 0.70 CALM1 (0.55) CALM1CYP3A4TDP1ALDH1A1TSHR

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-9562062-B2 Ligand compound, organic chromium compound, catalyst system for ethylene oligomerization, and method for ethylene oligomerization using the same LG CHEM, LTD (KR) 2017-02-07 US disclosed
US-20150361118-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME LG CHEM, LTD. (KR) 2015-12-17 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-20150361118-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME OXER1, OSTC, OR51E2 CALM1 4339/4885CYP3A4 691/4885TDP1 1730/4885

“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.