SCHEMBL25224874

SCHEMBL25224874

COc1ccc(-c2ccccc2)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2A6 P11509 2/20 0.50
BACE1 P56817 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP4B1 P13584 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP3A5 P20815 1/20 0.50
CYP2A7 P20853 1/20 0.50
CYP3A7 P24462 1/20 0.50
CYP2F1 P24903 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4F8 P98187 1/20 0.50

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
SCHEMBL29511345 0.88 SMN1; SMN2 (0.53) CYP1A2CYP3A4CYP2A6BACE1CYP1A1
SCHEMBL4224633 0.86 BACE1 (0.51) CYP1A2CYP3A4CYP2A6BACE1CYP1A1
Fluoride SCHEMBL14361225 0.85 BACE1 (0.50) CYP1A2CYP3A4CYP2A6BACE1CYP1A1
SCHEMBL12325013 0.82 PTPN1 (0.57) CYP1A2CYP3A4CYP2A6BACE1CYP1A1
SCHEMBL5551697 0.82 PTPN1 (0.57) CYP1A2CYP3A4CYP2A6BACE1CYP1A1
SCHEMBL29402037 0.82 PTPN1 (0.57) CYP1A2CYP3A4CYP2A6BACE1CYP1A1
Hydrogen Sulfide SCHEMBL27936907 0.80 PTPN1 (0.56) CYP1A2CYP3A4CYP2A6BACE1CYP1A1
Biphenyl SCHEMBL10827334 0.79 ABL1 (0.55) BACE1SMN1; SMN2KDM4EALDH1A1ABL1
SCHEMBL21670739 0.79 SMN1; SMN2 (0.41) CYP1A2CYP3A4CYP2A6CYP1A1CYP2E1
SCHEMBL17782985 0.78 PTPN1 (0.54) CYP1A2CYP3A4CYP2A6BACE1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4199685-A1 LIGHT EMITTING ELEMENT AND ORGANOMETALLIC COMPOUND FOR LIGHT EMITTING ELEMENT Samsung Display Co., Ltd. (KR) 2023-06-21 EP disclosed
CN-116264782-A Light-emitting element and organometallic compound for light-emitting element 三星显示有限公司 2023-06-16 CN disclosed
US-20230189630-A1 LIGHT EMITTING ELEMENT AND ORGANOMETALLIC COMPOUND FOR LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
US-20230189630-A1 LIGHT EMITTING ELEMENT AND ORGANOMETALLIC COMPOUND FOR LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
US-20230189630-A1 LIGHT EMITTING ELEMENT AND ORGANOMETALLIC COMPOUND FOR LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
CN-110713492-A Organic electroluminescent material and device 环球展览公司 2020-01-21 CN disclosed
CN-102911052-B Polymerized star compound and polymerized product and application thereof in liquid crystal device JIANGSU HECHENG DISPLAY TECH 2015-03-25 CN 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-20230189630-A1 LIGHT EMITTING ELEMENT AND ORGANOMETALLIC COMPOUND FOR LIGHT EMITTING ELEMENT NFE2L2, CRY1, LEF1 CYP1A2 271/4885CYP3A4 541/4885CYP2A6 1118/4885

“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.