Sugi Predict

Sugi Predict / Compounds / SCHEMBL14616136

SCHEMBL14616136

SCHEMBL14616136

Cc1ccccc[nH]cc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.50
▸ ACHE P22303 3/20 0.50
▸ ALDH1A1 P00352 5/20 0.37
▸ CYP2A6 P11509 2/20 0.37
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
O-Xylene SCHEMBL27859159 0.84 TSHR (0.62) TSHRACHEALDH1A1CYP2A6LMNA
O-Xylene SCHEMBL17318270 0.74 TSHR (0.91) TSHRACHEALDH1A1CYP2A6LMNA
O-Xylene SCHEMBL3640206 0.74 TSHR (0.91) TSHRACHEALDH1A1CYP2A6LMNA
O-Xylene SCHEMBL11253661 0.74 TSHR (0.91) TSHRACHEALDH1A1CYP2A6LMNA
O-Xylene SCHEMBL1077768 0.74 TSHR (0.91) TSHRACHEALDH1A1CYP2A6LMNA
O-Xylene SCHEMBL21987916 0.71 TSHR (0.83) TSHRACHEALDH1A1CYP2A6LMNA
O-Xylene SCHEMBL2288470 0.71 TSHR (0.83) TSHRACHEALDH1A1CYP2A6LMNA
O-Xylene SCHEMBL10522915 0.71 TSHR (1.00) TSHRACHEALDH1A1CYP2A6LMNA
O-Xylene SCHEMBL170581 0.71 TSHR (1.00) TSHRACHEALDH1A1CYP2A6LMNA
O-Xylene SCHEMBL8216257 0.71 TSHR (1.00) TSHRACHEALDH1A1CYP2A6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 — — 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-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR TSHR 40/4885ACHE 3977/4885ALDH1A1 4368/4885

“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.