SCHEMBL22610055

SCHEMBL22610055

Cc1ccc(OCCCCCCc2c(C)n[nH]c2C)cc1

nearest known ligand 0.97

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.88
▸ MEN1 O00255 6/20 0.88
▸ KMT2A Q03164 6/20 0.88
▸ ALDH1A1 P00352 2/20 0.88
▸ LMNA P02545 9/20 0.71
▸ HSD17B10 Q99714 8/20 0.68
▸ HTT P42858 5/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ MAPT P10636 6/20 0.61
▸ MAPK1 P28482 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ TSHR P16473 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ GAA P10253 1/20 0.52
▸ ATM Q13315 1/20 0.52

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
SCHEMBL12218179 0.86 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL17522785 0.82 SMN1; SMN2 (0.78) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL22610058 0.77 HSD17B10 (0.97) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL20145409 0.76 TTR (0.69) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL9011652 0.76 DRD2 (0.65) MEN1KMT2AGAA
SCHEMBL9011831 0.76 DRD2 (0.65) MEN1KMT2AGAA
SCHEMBL17522787 0.75 SMN1; SMN2 (0.69) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL11401119 0.75 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL3805304 0.74 DRD2 (0.68) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15828247 0.71 TTR (0.71) SMN1; SMN2MEN1KMT2AALDH1A1LMNA

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 SMN1; SMN2 2910/4885MEN1 4884/4885KMT2A 3716/4885
US-20200345715-A1 Ligands of the Mu, Kappa, and Delta Opioid Receptors OPRK1, OPRD1, OPRM1 SMN1; SMN2 2910/4885MEN1 4884/4885KMT2A 3716/4885

“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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