SCHEMBL22326579

SCHEMBL22326579

c1ccc2c(c1)-c1oc3ccccc3c1C21c2ccccc2-c2c(-c3nc4ccccc4[nH]3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.42
NPC1 O15118 11/20 0.42
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 7/20 0.41
HSD17B10 Q99714 5/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 8/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MAPT P10636 4/20 0.40
PKM P14618 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
F7 P08709 1/20 0.39
LMNA P02545 3/20 0.39
ABCB11 O95342 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL22326543 0.86 RAB9A (0.43) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL22326544 0.81 RAB9A (0.43) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL20174721 0.80 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL20174337 0.77 ALDH1A1 (0.33) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL22326547 0.76 NPSR1 (0.42) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL20174351 0.76 ACACA (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL20174739 0.75 NTRK1 (0.40) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL20174690 0.74 PDK2 (0.41) L3MBTL1
SCHEMBL21298131 0.73 NPC1 (0.53) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL17716721 0.73 CA1 (0.34) RAB9ANPC1ALDH1A1KDM4EHPGD

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG RAB9A 2250/4885NPC1 2492/4885ALDH1A1 33/4885

“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.