SCHEMBL25313708

SCHEMBL25313708

Brc1cc(Br)cc(/C=C/c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
ALOX5 P09917 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
MAOB P27338 3/20 0.48
PTPN1 P18031 1/20 0.47
NFE2L2 Q16236 2/20 0.46
CYP19A1 P11511 2/20 0.46
MAOA P21397 2/20 0.46
RELA Q04206 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45

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
SCHEMBL6487479 0.85 ALDH1A1 (0.55) TTRALOX5PTGS1PTGS2MAOB
SCHEMBL6487475 0.85 ALDH1A1 (0.55) TTRALOX5PTGS1PTGS2MAOB
SCHEMBL699999 0.83 HSD17B3 (0.59) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL699998 0.83 HSD17B3 (0.59) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL3257033 0.81 MAOB (0.61) TTRALOX5PTGS1PTGS2MAOB
SCHEMBL3257028 0.81 MAOB (0.61) TTRALOX5PTGS1PTGS2MAOB
SCHEMBL14491222 0.79 MAOB (0.56) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL260495 0.79 MAOB (0.56) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL2947332 0.79 MAOB (0.56) MAOBNFE2L2CYP19A1MAOARELA
SCHEMBL622876 0.79 MAOB (0.56) MAOBNFE2L2CYP19A1MAOARELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404221-B2 Methods of arene alkenylation UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-09-02 US disclosed
US-20230234900-A1 METHODS OF ARENE ALKENYLATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-07-27 US disclosed
US-20230234900-A1 METHODS OF ARENE ALKENYLATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-07-27 US disclosed
US-20230234900-A1 METHODS OF ARENE ALKENYLATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-07-27 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 (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-20230234900-A1 METHODS OF ARENE ALKENYLATION CYBB, CBR3, AHR TTR 2602/4885ALOX5 117/4885PTGS1 2007/4885
US-12404221-B2 Methods of arene alkenylation CYBB, CBR3, AHR TTR 2602/4885ALOX5 117/4885PTGS1 2007/4885

“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.