SCHEMBL5588930

SCHEMBL5588930

Cc1cccc(C(C)C)c1N=Cc1ncccn1.[Ni]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
GABRA1 P14867 2/20 0.32
TSHR P16473 2/20 0.32
GABRB2 P47870 2/20 0.32
HIF1A Q16665 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 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
SCHEMBL5589730 0.98 ADRB2 (0.33) ADRB2LMNACYP1A2CYP3A4GABRA1
SCHEMBL5588096 0.91 GABRA1 (0.35) ADRB2LMNACYP1A2CYP3A4GABRA1
SCHEMBL5589579 0.89 GABRA1 (0.36) LMNACYP1A2CYP3A4GABRA1TSHR
SCHEMBL5588240 0.88 ADRB2 (0.32) ADRB2LMNACYP1A2CYP3A4GABRA1
SCHEMBL5589638 0.85 KDM4E (0.38) KDM4ENPSR1TDP1ALDH1A1MAPT
SCHEMBL5590658 0.84 NR4A1 (0.47) LMNAHPGDKDM4ENPSR1TDP1
SCHEMBL5590165 0.84 KDM4E (0.39) CYP1A2KDM4ENPSR1TDP1ALDH1A1
SCHEMBL5590168 0.84 KDM4E (0.39) CYP1A2KDM4ENPSR1TDP1ALDH1A1
SCHEMBL18086818 0.82 NR4A1 (0.49) LMNAHPGDKDM4ENPSR1TDP1
SCHEMBL5588926 0.82 NR4A1 (0.49) LMNAHPGDKDM4ENPSR1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 ADRB2 2122/4885LMNA 178/4885CYP1A2 2390/4885

“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.