SCHEMBL23215822

SCHEMBL23215822

CCCCOC(Br)C=O.[Zn]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.34
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH7 P40394 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.32
DNM1 Q05193 1/20 0.32
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.32
ADH4 P08319 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CNR1 P21554 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
SCHEMBL2215390 0.75 TSHR (0.39) TSHRSMN1; SMN2ATMADH1BADH1C
SCHEMBL8559839 0.74 TSHR (0.35) TSHRSMN1; SMN2ATMADH1BADH1C
SCHEMBL14820781 0.73
SCHEMBL6931736 0.73
SCHEMBL3406705 0.71
SCHEMBL7679115 0.71 TSHR (0.41) TSHRSMN1; SMN2ATMADH1BADH1C
SCHEMBL28243045 0.71
SCHEMBL9047606 0.71
SCHEMBL5707565 0.71
SCHEMBL4396238 0.71 CYP3A4 (0.42) TSHRSMN1; SMN2ATMCYP3A4HPGD

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
US-20230061736-A1 GPR119 AGONISTS KALLYOPE, INC. 2023-03-02 US disclosed
US-20220153719-A1 GPR119 AGONISTS KALLYOPE, INC. 2022-05-19 US disclosed
WO-2021071837-A1 GPR119 AGONISTS KALLYOPE, INC. (US) 2021-04-15 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 (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-20230061736-A1 GPR119 AGONISTS GPR119, GLP1R, GCGR TSHR 472/4885SMN1; SMN2 1661/4885ATM 4104/4885
US-20220153719-A1 GPR119 AGONISTS GPR119, GLP1R, GCGR TSHR 472/4885SMN1; SMN2 1661/4885ATM 4104/4885

“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.