SCHEMBL4454402

SCHEMBL4454402

Ic1cccc(C2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
KMO O15229 1/20 0.50
CYP11B2 P19099 1/20 0.42
HTR2C P28335 5/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ACMSD Q8TDX5 2/20 0.38
SERPINE1 P05121 1/20 0.37
SLC18A3 Q16572 1/20 0.36

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
SCHEMBL26367715 0.98 KMO (0.53) HDAC4HDAC2HDAC8KMOCYP11B2
SCHEMBL19671564 0.91 HTR2C (0.42) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL778529 0.86 HDAC4 (0.63) HDAC4HDAC2HDAC8KMOCYP11B2
SCHEMBL5667650 0.84 KMO (0.64) HDAC4HDAC2HDAC8KMOCYP11B2
SCHEMBL669730 0.84 KMO (0.64) HDAC4HDAC2HDAC8KMOCYP11B2
SCHEMBL8044618 0.82 HTR2C (0.62) HTR2CSLC18A3
SCHEMBL7294404 0.82 HTR2C (0.37) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL5666805 0.81 KMO (0.62) HDAC4HDAC2HDAC8KMOCYP11B2
Hydrogen Peroxide SCHEMBL11391460 0.79 KMO (0.71) HDAC4HDAC2HDAC8KMOCYP11B2
SCHEMBL12825091 0.79 QDPR (0.53) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328285-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2024-02-28 EP disclosed
CN-105392777-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2020-09-22 CN disclosed
EP-3013796-B9 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2020-07-01 EP disclosed
EP-3628661-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEM, LTD. (KR) 2020-04-01 EP disclosed
US-10221138-B2 Biaryl derivatives as GPR120 agonists LG CHEM, LTD. (KR) 2019-03-05 US disclosed
US-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2016-06-16 US disclosed
EP-3013796-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG Life Sciences Ltd. (KR) 2016-05-04 EP disclosed
WO-2014209034-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2014-12-31 WO disclosed
US-7589095-B2 4-phenyl-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2009-09-15 US disclosed
EP-1758870-B1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2008-08-13 EP disclosed
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives Cai, Jiaqiang 2008-04-17 US disclosed
CN-1980897-A 4-phenyl-pyrimidine-2-carbonitrile derivatives ORGANON NV (NL) 2007-06-13 CN disclosed
EP-1758870-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2007-03-07 EP disclosed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 WO 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 (3 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-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS GPR119, GLP1R, GIPR HDAC4 1929/4885HDAC2 1343/4885HDAC8 2301/4885
US-10221138-B2 Biaryl derivatives as GPR120 agonists GPR119, GLP1R, GIPR HDAC4 1929/4885HDAC2 1343/4885HDAC8 2301/4885
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives P2RY4, P2RX4, P2RY1 HDAC4 2249/4885HDAC2 1864/4885HDAC8 4154/4885

“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.