SCHEMBL775430

SCHEMBL775430

CC(C)(C)NCc1ccc2ccccc2c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
HTT P42858 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
SLC2A1 P11166 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL16176982 0.82 LPL (0.36) KDM4EALDH1A1LPLLIPGHTT
SCHEMBL26621923 0.80 LPL (0.41) KDM4EALDH1A1HPGDLPLLIPG
SCHEMBL12822400 0.80 MEN1 (0.41) KDM4EALDH1A1LPLLIPGMEN1
SCHEMBL12822237 0.80 NFKB1 (0.40) KDM4EALDH1A1LPLLIPGMEN1
SCHEMBL775018 0.79 LPL (0.40) KDM4EALDH1A1LPLLIPGKMT2A
SCHEMBL18662581 0.79 LPL (0.40) KDM4EALDH1A1LPLLIPGKMT2A
SCHEMBL774936 0.79 ALDH1A1 (0.41) KDM4EALDH1A1LPLLIPGHTT
SCHEMBL17045815 0.78 KMT2A (0.44) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL12822172 0.77 GPR55 (0.42) LPLLIPG
SCHEMBL774640 0.77 LPL (0.38) KDM4EALDH1A1LPLLIPGMEN1

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-8394902-B2 Pyridyldiamido transition metal complexes, production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-03-12 US disclosed
US-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2012-03-22 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-20120071616-A1 Pyridyldiamido Transition Metal Complexes, Production And Use Thereof PNPO, PLPBP, PDXK KDM4E 3869/4885ALDH1A1 1554/4885HPGD 322/4885

“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.