SCHEMBL9416611

SCHEMBL9416611

COc1ccc(CN(Cc2ccc(OC)cc2)C(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.58
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 3/20 0.54
MAPK1 P28482 1/20 0.54
USP2 O75604 1/20 0.54
APLNR P35414 1/20 0.53
ALOX5 P09917 1/20 0.51
ACHE P22303 1/20 0.51
MAPT P10636 2/20 0.51

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
SCHEMBL9416603 0.87 SLC2A1 (0.57) TSPOALDH1A1NPSR1SMN1; SMN2TDP1
SCHEMBL3484433 0.86 TDP1 (0.60) ALDH1A1NPSR1SMN1; SMN2HTTTDP1
SCHEMBL11806780 0.85 ALDH1A1 (0.56) TSPOALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL25426321 0.83 ALDH1A1 (0.58) TSPOALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL6412526 0.83 SMN1; SMN2 (0.68) TSPOALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL6121816 0.83 TSHR (0.73) TSPOALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL10458603 0.83 ALDH1A1 (0.55) TSPOALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL6122171 0.83 ALDH1A1 (0.58) TSPOALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL14544524 0.83 LPAR1 (0.67) ALDH1A1NPSR1HTTTDP1MEN1
SCHEMBL23531718 0.83 ALDH1A1 (0.49) TSPOALDH1A1NPSR1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
EP-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 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-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC TSPO 4718/4885ALDH1A1 946/4885NPSR1 755/4885

“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.