SCHEMBL23730871

SCHEMBL23730871

CCCC(C)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C9 P11712 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
RECQL P46063 1/20 0.33
FFAR1 O14842 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL10062452 0.86 RECQL (0.41) HTTTSHRCYP2C19ALDH1A1CYP3A4
SCHEMBL23190512 0.85 RECQL (0.43) HTTTSHRALDH1A1RECQLMEN1
SCHEMBL31380293 0.84 TSHR (0.48) TSHRCYP3A4SMN1; SMN2FFAR1GPR84
SCHEMBL3708329 0.83 TSHR (0.59) HTTTSHRCYP2C19ALDH1A1CYP3A4
SCHEMBL29573338 0.83 TSHR (0.59) HTTTSHRCYP2C19ALDH1A1CYP3A4
SCHEMBL17755321 0.82 CYP2C19 (0.46) HTTTSHRCYP2C19ALDH1A1CYP3A4
SCHEMBL19122188 0.82 CYP2C19 (0.46) HTTTSHRCYP2C19ALDH1A1CYP3A4
SCHEMBL21776258 0.81 TSHR (0.32) HTTTSHRSMN1; SMN2GRM2
SCHEMBL28343109 0.81 HTT (0.39) HTTTSHRCYP2C19ALDH1A1CYP3A4
SCHEMBL9347983 0.80 HTT (0.39) HTTTSHRCYP2C19ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
US-20210238125-A1 Diabetes and Metabolic Syndrome Treatment with a Novel Dual Modulator of Soluble Epoxide Hydrolase and Peroxisome Proliferator-Activated Receptors THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2021-08-05 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-20210238125-A1 Diabetes and Metabolic Syndrome Treatment with a Novel Dual Modulator of Soluble Epoxide Hydrolase and Peroxisome Proliferator-Activated Receptors EPHX1, EPHX2, PPARG HTT 4875/4885TSHR 1209/4885CYP2C19 765/4885

“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.