Sugi Predict

Sugi Predict / Compounds / SCHEMBL18179635

SCHEMBL18179635

SCHEMBL18179635

CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.42
▸ GABRA1 P14867 3/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ HTR2B P41595 1/20 0.40

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
Hydrochloric Acid SCHEMBL28473625 0.96 SIGMAR1 (0.39) SIGMAR1GABRA1GABRG2GABRB3GABRB2
SCHEMBL28473624 0.93 SIGMAR1 (0.37) SIGMAR1GABRA1GABRG2GABRB3GABRB2
SCHEMBL18179630 0.86 C5AR1 (0.39) SIGMAR1TSHR
SCHEMBL16834193 0.82 ATM (0.40) SIGMAR1LMNAHPGDMEN1KMT2A
SCHEMBL29189781 0.80 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL22749140 0.80 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL29913292 0.80 ANPEP (0.45) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL12474244 0.80 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL13258747 0.80 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL29245718 0.80 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115970757-B Non-metallocene rare earth metal hydrocarbon functionalization reaction catalyst, preparation method and application thereof 四川大学 2024-07-09 — — CN disclosed
CN-115970757-A Non-metallocene rare earth metal hydrocarbon functional group reaction catalyst and preparation method and application thereof 四川大学 2023-04-18 — — CN disclosed
US-9862734-B2 Metal-ligand complex, olefin polymerization catalyst derived therefrom, and olefin polymerization method utilizing the catalyst DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-09 — — US disclosed
US-20160311837-A1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST DOW GLOBAL TECHNOLOGIES LLC 2016-10-27 — — 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-20160311837-A1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST OPRM1, WASF2, WEE1 SIGMAR1 1288/4885GABRA1 3207/4885GABRG2 3201/4885

“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.