SCHEMBL22610058

SCHEMBL22610058

Cc1ccccc1OCCCCCCc1c(C)n[nH]c1C

nearest known ligand 0.97

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 8/20 0.97
▸ SMN1; SMN2 Q16637 7/20 0.97
▸ LMNA P02545 7/20 0.97
▸ MAPT P10636 6/20 0.97
▸ HTT P42858 4/20 0.97
▸ TSHR P16473 1/20 0.97
▸ RECQL P46063 1/20 0.97
▸ MEN1 O00255 5/20 0.78
▸ KMT2A Q03164 5/20 0.78
▸ MAPK1 P28482 2/20 0.78
▸ ALDH1A1 P00352 2/20 0.78
▸ CYP1A2 P05177 1/20 0.78
▸ CYP2D6 P10635 1/20 0.78
▸ HPGD P15428 1/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ NPSR1 Q6W5P4 2/20 0.70
▸ GAA P10253 1/20 0.68
▸ TTR P02766 1/20 0.67

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
SCHEMBL17522789 0.94 SMN1; SMN2 (0.97) HSD17B10SMN1; SMN2LMNAMAPTHTT
SCHEMBL15158388 0.80 TTR (1.00) HSD17B10SMN1; SMN2LMNAMAPTHTT
SCHEMBL19801754 0.80 SMN1; SMN2 (0.72) HSD17B10SMN1; SMN2LMNAMAPTHTT
SCHEMBL22610055 0.77 SMN1; SMN2 (0.88) HSD17B10SMN1; SMN2LMNAMAPTHTT
SCHEMBL9808080 0.76 ALDH1A1 (0.62) HSD17B10SMN1; SMN2LMNAMAPTHTT
SCHEMBL20145409 0.74 TTR (0.69) HSD17B10SMN1; SMN2LMNAMAPTHTT
SCHEMBL11401119 0.73 SMN1; SMN2 (0.62) HSD17B10SMN1; SMN2LMNAMAPTHTT
SCHEMBL11679951 0.72 CYP2D6 (0.61) HSD17B10SMN1; SMN2LMNAMAPTHTT
SCHEMBL12301158 0.72 LMNA (0.56) HSD17B10SMN1; SMN2LMNAMAPTHTT
SCHEMBL22207292 0.71 ALDH1A1 (0.58) HSD17B10SMN1; SMN2LMNAMAPTHTT

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-11213518-B2 Ligands of the mu, kappa, and delta opioid receptors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-01-04 — — US claimed
US-20200345715-A1 Ligands of the Mu, Kappa, and Delta Opioid Receptors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-11-05 — — US claimed
US-11213518-B2 Ligands of the mu, kappa, and delta opioid receptors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-01-04 — — US disclosed
US-11213518-B2 Ligands of the mu, kappa, and delta opioid receptors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-01-04 — — US disclosed
US-20200345715-A1 Ligands of the Mu, Kappa, and Delta Opioid Receptors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-11-05 — — 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 (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-11213518-B2 Ligands of the mu, kappa, and delta opioid receptors OPRK1, OPRD1, OPRM1 HSD17B10 3910/4885SMN1; SMN2 2910/4885LMNA 3856/4885
US-20200345715-A1 Ligands of the Mu, Kappa, and Delta Opioid Receptors OPRK1, OPRD1, OPRM1 HSD17B10 3910/4885SMN1; SMN2 2910/4885LMNA 3856/4885

“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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