SCHEMBL24041867

SCHEMBL24041867

c1ccc2c(c1)ncn2CCc1ccc(OCCc2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.49
▸ HTT P42858 5/20 0.48
▸ SMN1; SMN2 Q16637 9/20 0.47
▸ LMNA P02545 7/20 0.47
▸ TSHR P16473 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL24041864 0.95 HTT (0.53) LTA4HHTTSMN1; SMN2LMNATSHR
SCHEMBL24041810 0.87 PRPS1 (0.39) LTA4HHTTSMN1; SMN2LMNATSHR
SCHEMBL24054701 0.83 KDM4C (0.39) LTA4HHTTSMN1; SMN2LMNATSHR
SCHEMBL24041816 0.82 PRPS1 (0.42) HTTLMNATSHRNPSR1L3MBTL1
SCHEMBL24041743 0.80 HTT (0.76) LTA4HHTTSMN1; SMN2LMNATSHR
SCHEMBL24041804 0.78 HTT (0.63) LTA4HHTTSMN1; SMN2LMNATSHR
SCHEMBL24041863 0.77 HTT (0.62) LTA4HHTTSMN1; SMN2LMNATSHR
SCHEMBL24041777 0.77 HTT (0.62) LTA4HHTTSMN1; SMN2LMNATSHR
SCHEMBL24041750 0.76 L3MBTL1 (0.74) LTA4HHTTSMN1; SMN2LMNATSHR
SCHEMBL29832042 0.76 TGFBR1 (0.56) HTTSMN1; SMN2LMNATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116876-A1 SOCE Inhibitors and Therapeutic Uses Thereof Institut National de la Santé et de la Recherche Médicale (FR) 2024-04-11 — — US disclosed
EP-3912972-A1 SOCE INHIBITORS AND THERAPEUTIC USES THEREOF Centre Hospitalier Régional et Universitaire de Brest (FR) 2021-11-24 — — EP 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-20240116876-A1 SOCE Inhibitors and Therapeutic Uses Thereof STIM1, ORAI1, STIM2 LTA4H 853/4885HTT 3725/4885SMN1; SMN2 2267/4885

“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.

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