SCHEMBL20174430

SCHEMBL20174430

c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3ccc4ccccc4n3)c2-c2c1oc1ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
HCRTR1 O43613 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AR P10275 12/20 0.38
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 1/20 0.33
GFER P55789 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL20174433 0.84 KDM4E (0.36) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL20174335 0.84 NPC1 (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL20174424 0.82 ACACA (0.38) MAPTALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20174727 0.80 MAPT (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL20174435 0.78 ALDH1A1 (0.33) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL20174437 0.77 ACACA (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22326544 0.77 RAB9A (0.43) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL21868024 0.77 RAB9A (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL20174381 0.77 CYP1A1 (0.37) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20174333 0.75 KMT2A (0.33) MEN1KMT2AMAPTALDH1A1HPGD

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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 NPC1 2492/4885RAB9A 2250/4885MEN1 611/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG NPC1 2492/4885RAB9A 2250/4885MEN1 611/4885

“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.