SCHEMBL25816145

SCHEMBL25816145

O=C(O)CC(C(=O)O)c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
TSHR P16473 2/20 0.57
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
CYP26A1 O43174 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 1/20 0.42
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38

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
SCHEMBL262673 0.81 HTT (0.45) CYP1A2TSHRALDH1A1HSD17B10POLB
SCHEMBL30437060 0.81 GABBR2 (0.48) CYP1A2TSHRPOLBCYP26A1CPA1
SCHEMBL658742 0.81 GABBR2 (0.48) CYP1A2TSHRPOLBCYP26A1CPA1
SCHEMBL8771210 0.79 SLC18A3 (0.46) CYP1A2TSHRCYP26A1CPA1CPB1
SCHEMBL27809268 0.79 CYP26A1 (0.44) CYP1A2TSHRCYP26A1CPA1CPB1
SCHEMBL1492655 0.79 HTT (0.46) CYP1A2TSHRHTTCYP2C19CYP2C9
SCHEMBL10692703 0.78 CYP1A2 (0.57) CYP1A2TSHRKDM4EALDH1A1HSD17B10
SCHEMBL5720936 0.78 CYP26A1 (0.46) CYP1A2TSHRCYP26A1KMT2ACPA1
SCHEMBL1613850 0.78 HTT (0.49) CYP1A2TSHRKDM4EALDH1A1CYP26A1
SCHEMBL31296529 0.78 HTT (0.49) CYP1A2TSHRKDM4EALDH1A1CYP26A1

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
CN-115867346-B Kinase inhibitors GB005股份有限公司 2025-03-14 CN disclosed
US-20230219923-A1 KINASE INHIBITORS VIDYA THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230219923-A1 KINASE INHIBITORS VIDYA THERAPEUTICS, INC. 2023-07-13 US disclosed
CN-115867346-A Kinase inhibitors GB005股份有限公司 2023-03-28 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-20230219923-A1 KINASE INHIBITORS BTK, ABL1, LYN CYP1A2 3142/4885TSHR 2436/4885KDM4E 1060/4885

“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.