Sugi Predict

Sugi Predict / Compounds / SCHEMBL3887332

SCHEMBL3887332

SCHEMBL3887332

Brc1cc(I)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.39
▸ MAOA P21397 2/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ GUSB P08236 2/20 0.34
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL3888382 0.89 CYP1A2 (0.44) CYP1A2MAOAERBB2FYNACHE
SCHEMBL3887670 0.89 CYP1A2 (0.44) CYP1A2MAOAERBB2FYNACHE
SCHEMBL17880385 0.81 CYP1A2 (0.42) CYP1A2MAOAERBB2FYNACHE
SCHEMBL3886375 0.81 CYP1A2 (0.39) CYP1A2MAOAERBB2FYNACHE
SCHEMBL3292278 0.81 ALDH1A1 (0.44) CYP1A2MAOAERBB2FYNACHE
SCHEMBL3860411 0.80 GUSB (0.44) CYP1A2MAOAERBB2FYNACHE
SCHEMBL18116636 0.80 CYP1A2 (0.41) CYP1A2MAOAERBB2FYNACHE
SCHEMBL18116637 0.80 CYP1A2 (0.41) CYP1A2MAOAERBB2FYNACHE
SCHEMBL11996138 0.80 CYP1A2 (0.38) CYP1A2MAOAERBB2FYNACHE
SCHEMBL29357128 0.79 CYP1A2 (0.52) CYP1A2MAOAERBB2FYNACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903020-B1 BIPHENYL DERIVATIVES, ORGANIC ELECTROLUMINESCENT MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICES MADE BY USING THE SAME IDEMITSU KOSAN CO (JP) 2014-03-19 — — EP disclosed
US-7560604-B2 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2009-07-14 — — US disclosed
CN-101193842-A Biphenyl derivative, material for organic electroluminescent element, and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2008-06-04 — — CN disclosed
EP-1903020-A1 BIPHENYL DERIVATIVES, ORGANIC ELECTROLUMINESCENT MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICES MADE BY USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-03-26 — — EP disclosed
US-20070013296-A1 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2007-01-18 — — 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-20070013296-A1 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same EED, BMI1, EBPL CYP1A2 195/4885MAOA 116/4885ERBB2 2005/4885

“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.