SCHEMBL22703490

SCHEMBL22703490

Cc1n[nH]c(C)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ENPP3 O14638 1/20 0.46
▸ ALPL P05186 1/20 0.46
▸ ENPP1 P22413 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ STAT3 P40763 1/20 0.43

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
SCHEMBL26689985 0.83 POLB (0.44) IKBKEPOLBL3MBTL1BRD4MAPT
SCHEMBL23115819 0.76 ALDH1A1 (0.56) POLBMAPTTDP1NPC1RAB9A
SCHEMBL24906243 0.76 LMNA (0.53) IKBKEPOLBMAPTTDP1SMN1; SMN2
SCHEMBL24968079 0.73 L3MBTL1 (0.63) POLBL3MBTL1MAPTMAPK1TDP1
SCHEMBL20751064 0.72 POLB (0.51) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3259500 0.72 IKBKE (0.47) IKBKEPOLBL3MBTL1BRD4MAPT
SCHEMBL21807727 0.72 HSD17B10 (0.39) IKBKEPOLBBRD4MAPTSMN1; SMN2
SCHEMBL9682836 0.71 LMNA (0.45) POLBL3MBTL1MAPTMAPK1TDP1
SCHEMBL22445425 0.70 L3MBTL1 (0.55) L3MBTL1BRD4MAPTMAPK1TDP1
SCHEMBL2234851 0.70 L3MBTL1 (0.56) L3MBTL1MAPTMAPK1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369613-A1 INTEGRIN LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2020-11-26 — — 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 (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-20200369613-A1 INTEGRIN LIGANDS AND USES THEREOF ITGB6, ITGA6, ITGAV IKBKE 4554/4885POLB 2112/4885ENPP3 1824/4885

“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.

Send feedback