SCHEMBL23214636

SCHEMBL23214636

CCC(Br)c1cc(Cl)c(Cl)cc1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TSHR P16473 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP3A4 P08684 2/20 0.32
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
RORC P51449 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
SCHEMBL23214655 0.81 LMNA (0.43) LMNATSHRHSD17B10HPGDALOX15
SCHEMBL23214644 0.78 LMNA (0.47) LMNATSHRHSD17B10HPGDALOX15
SCHEMBL10702604 0.72 LMNA (0.72) LMNATSHRHSD17B10HPGDALOX15
SCHEMBL26771218 0.71 LMNA (0.44) LMNATSHRHSD17B10HPGDALOX15
SCHEMBL4060593 0.69 LMNA (0.42) LMNATSHRHSD17B10HPGDALOX15
SCHEMBL8350553 0.69 TSHR (0.46) LMNATSHRHSD17B10HPGDALOX15
SCHEMBL29768386 0.69 LMNA (0.36) LMNATSHRHSD17B10HPGDALOX15
SCHEMBL21302114 0.68 LMNA (0.50) LMNATSHRHSD17B10HPGDALOX15
SCHEMBL16736873 0.68 RORC (0.49) LMNATSHRHSD17B10HPGDALOX15
SCHEMBL6643908 0.67 NISCH (0.44) LMNATSHRCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411367-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2022-12-29 US disclosed
EP-4041228-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
CN-114727993-A Arylmethylene heterocyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2022-07-08 CN disclosed
WO-2021071812-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071812-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E SHAW RESEARCH, LLC (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 (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-20220411367-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 LMNA 1864/4885TSHR 2041/4885HSD17B10 794/4885

“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.