SCHEMBL630242

SCHEMBL630242

BrCc1cccc(-c2cccc(Br)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA5 P31644 5/20 0.43
GABRA3 P34903 5/20 0.43
TSHR P16473 2/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAOB P27338 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GABRA1 P14867 2/20 0.41
BIRC5 O15392 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1259618 0.89 TRPA1 (0.52) CYP4F2CYP4A11AGXTTSHRTRPA1
SCHEMBL30987236 0.89 TRPA1 (0.52) CYP4F2CYP4A11AGXTTSHRTRPA1
SCHEMBL29353789 0.86
SCHEMBL6882 0.86
SCHEMBL15125657 0.85 ALDH1A1 (0.50) TAAR1CYP4F2CYP4A11AGXTTSHR
SCHEMBL613602 0.84 TAAR1 (0.56) TAAR1IDO1AGXTTSHRTRPA1
SCHEMBL120295 0.82 ALDH1A1 (0.59) TAAR1CYP4F2CYP4A11AGXTTSHR
SCHEMBL630230 0.81 PRKCI (0.58) TAAR1IDO1AGXTGABRG2GABRB3
SCHEMBL8227275 0.81 TAAR1 (0.44) TAAR1IDO1AGXTGABRG2GABRB3
SCHEMBL25915129 0.81 BCL2 (0.51) TAAR1IDO1AGXTGABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039056-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2024-02-22 WO disclosed
WO-2024039056-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2024-02-22 WO disclosed
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
EP-2041159-B8 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2012-02-22 EP disclosed
EP-2041159-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2011-09-28 EP disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US disclosed
EP-2041159-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-04-01 EP disclosed
WO-2007148135-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-27 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 (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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 TAAR1 3754/4885CYP4F2 1842/4885CYP4A11 485/4885

“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.