SCHEMBL5599017

SCHEMBL5599017

CCCCCCCCCCc1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
LPL P06858 3/20 0.57
LIPG Q9Y5X9 3/20 0.57
TAAR1 Q96RJ0 3/20 0.55
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL1577575 1.00 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19LPLLIPG
SCHEMBL28656641 1.00 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19LPLLIPG
SCHEMBL19304390 1.00 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19LPLLIPG
SCHEMBL2442972 1.00 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19LPLLIPG
SCHEMBL9802185 1.00 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19LPLLIPG
SCHEMBL2998787 0.98 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C19LPLLIPG
Nitrogen SCHEMBL23668052 0.96 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19LPLLIPG
SCHEMBL417687 0.92 TAAR1 (0.59) CYP1A2CYP2D6CYP2C19LPLLIPG
SCHEMBL19524669 0.90 TAAR1 (0.65) CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL27390155 0.90 LPL (0.51) CYP1A2CYP2D6CYP2C19LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250100953-A1 Ligand Compound, Organochromium Compound and Catalyst Composition Comprising the Same LG CHEM, LTD. (KR) 2025-03-27 US disclosed
EP-4450511-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND AND CATALYST COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2024-10-23 EP disclosed
WO-2023177129-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND AND CATALYST COMPOSITION COMPRISING SAME 주식회사 엘지화학 2023-09-21 WO disclosed
CN-113527341-A Alkane soluble tetrakis (pentafluorophenyl) borate and preparation method and application thereof 中国石油天然气股份有限公司 2021-10-22 CN disclosed
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP 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 (2 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-20250100953-A1 Ligand Compound, Organochromium Compound and Catalyst Composition Comprising the Same OXER1, ESR1, NOD1 CYP1A2 962/4885CYP2D6 1936/4885CYP2C19 1578/4885
US-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 CYP1A2 18/4885CYP2D6 422/4885CYP2C19 341/4885

“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.