SCHEMBL9950376

SCHEMBL9950376

Brc1cccc(OC[C@@H]2CCCCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.45
MAOB P27338 3/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1441552 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL1441555 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL19384405 0.96 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL1442836 0.96 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL1442839 0.96 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL12819385 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL12819830 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL12819942 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL6072643 0.82 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TP53TSHRNPC1
SCHEMBL16059198 0.82 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR

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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 SMN1; SMN2 3448/4885ALDH1A1 477/4885TP53 220/4885

“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.