SCHEMBL27028554

SCHEMBL27028554

Nc1cccc(OCC2CCCO2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 2/20 0.45
IGF1R P08069 2/20 0.43
PIK3CD O00329 1/20 0.43
PDPK1 O15530 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
EPHB4 P54760 1/20 0.43
EPHA4 P54764 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAOB P27338 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
SCHEMBL26968756 0.83 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL13948483 0.83 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL1442839 0.82 SMN1; SMN2 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL12818254 0.82 RAB9A (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL19384405 0.82 SMN1; SMN2 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL1442836 0.82 SMN1; SMN2 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL12819945 0.82 RAB9A (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL17957130 0.82 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL3025476 0.81 RAB9A (0.54) ALDH1A1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL15650478 0.81 RAB9A (0.54) ALDH1A1RAB9ANPC1SMN1; SMN2TP53

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-20240182475-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION Université de Lausanne (CH) 2024-06-06 US disclosed
EP-4308117-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION Université de Lausanne (CH) 2024-01-24 EP disclosed
WO-2022194953-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION Université de Lausanne (CH) 2022-09-22 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-20240182475-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION CTH, CBS, GAA ALDH1A1 2316/4885RAB9A 3925/4885NPC1 2791/4885

“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.