SCHEMBL4469982

SCHEMBL4469982

CCOc1cc(C)cc(OCC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
POLQ O75417 1/20 0.38
ADORA1 P30542 1/20 0.37
HTT P42858 1/20 0.36
NQO1 P15559 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL17974951 0.89 POLQ (0.48) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL12204057 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL21941064 0.80 HIF1A (0.43) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL7464556 0.80 ALDH1A1 (0.55) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL3822083 0.80 NQO1 (0.48) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL1421836 0.80 SMN1; SMN2 (0.42) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL3825486 0.75 MEN1 (0.42) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL13012202 0.75 SMN1; SMN2 (0.50) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL19330128 0.75 SMN1; SMN2 (0.42) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL2545947 0.75 SMN1; SMN2 (0.42) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A

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
EP-2125023-A2 SOLUBLE FORMS OF INCLUSION COMPLEXES OF HISTONE DEACETYLASE INHIBITORS AND CYCLODEXTRINS, THEIR PREPARATION PROCESSES AND USES IN THE PHARMACEUTICAL FIELD Universita'Degli Studi di Roma "La Sapienza" (IT) 2009-12-02 EP claimed
WO-2008090585-A2 SOLUBLE FORMS OF INCLUSION COMPLEXES OF HISTONE DEACETYLASE INHIBITORS AND CYCLODEXTRINS, THEIR PREPARATION PROCESSES AND USES IN THE PHARMACEUTICAL FIELD UNIVERSITÀ DEGLI STUDI DI ROMA LA SAPIENZA (IT) 2008-07-31 WO claimed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
EP-2125023-A2 SOLUBLE FORMS OF INCLUSION COMPLEXES OF HISTONE DEACETYLASE INHIBITORS AND CYCLODEXTRINS, THEIR PREPARATION PROCESSES AND USES IN THE PHARMACEUTICAL FIELD Universita'Degli Studi di Roma "La Sapienza" (IT) 2009-12-02 EP disclosed
WO-2008090585-A2 SOLUBLE FORMS OF INCLUSION COMPLEXES OF HISTONE DEACETYLASE INHIBITORS AND CYCLODEXTRINS, THEIR PREPARATION PROCESSES AND USES IN THE PHARMACEUTICAL FIELD UNIVERSITÀ DEGLI STUDI DI ROMA LA SAPIENZA (IT) 2008-07-31 WO 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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 SMN1; SMN2 1526/4885NPC1 183/4885ALDH1A1 1641/4885

“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.