SCHEMBL23214743

SCHEMBL23214743

CC(C)CC(O)c1cc(Cl)c(Cl)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.40
ALOX12 P18054 2/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
MC4R P32245 2/20 0.33
CA3 P07451 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
GRN P28799 1/20 0.33

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
SCHEMBL23214644 0.80 LMNA (0.47) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL23214655 0.79 LMNA (0.43) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL2256329 0.76 LMNA (0.53) LMNAMC4RMEN1ADRA2CPDE4A
SCHEMBL10702604 0.74 LMNA (0.72) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL21302114 0.71 LMNA (0.50) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL16268264 0.71 ADRB2 (0.61) LMNAMC4RL3MBTL1ADRB2ADRB1
SCHEMBL26771218 0.69 LMNA (0.44) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL22805030 0.67 PDE2A (0.42) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL29365171 0.67 PDE2A (0.42) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL23214636 0.67 LMNA (0.41) LMNATSHRHPGDHSD17B10ALOX15

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 2041/4885HPGD 2594/4885

“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.