SCHEMBL17342248

SCHEMBL17342248

CN(c1ccc(C(C)(c2ccc(N(P(c3ccccc3)c3ccccc3)P(c3ccccc3)c3ccccc3)cc2)C(F)(F)F)cc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 0.35
NR1H2 P55055 10/20 0.35
MLYCD O95822 3/20 0.35
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
HSD11B1 P28845 3/20 0.32
NR1I2 O75469 1/20 0.30

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
SCHEMBL17345781 0.78 ESR1 (0.39) NR1H3NR1H2MLYCDHSD11B1NR1I2
SCHEMBL17342250 0.73 ALDH1A1 (0.44)
SCHEMBL17342247 0.73 LTA4H (0.39) NR1H2
SCHEMBL2574194 0.71 MEN1 (0.42) OPRM1OPRL1
SCHEMBL5079313 0.69 ALDH1A1 (0.52) NR1H3NR1H2HSD11B1
SCHEMBL16755617 0.69 TDP1 (0.43)
SCHEMBL20025824 0.68 CYP2C19 (0.44)
SCHEMBL20021864 0.68 TSHR (0.46) OPRM1OPRL1
SCHEMBL11725710 0.67 TSHR (0.40)
SCHEMBL11729000 0.67 APP (0.39) OPRM1OPRL1

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 NR1H3 213/4885NR1H2 306/4885MLYCD 483/4885

“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.