SCHEMBL20174439

SCHEMBL20174439

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccccc4n3)cc2-c2c1oc1ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.37
CYP1A2 P05177 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 5/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PIM1 P11309 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL20174387 0.87 CYP1A1 (0.36) CYP1A2SMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL20174391 0.87 CYP1A1 (0.37) CYP1A2ALDH1A1HPGDKDM4EMAPT
SCHEMBL20174389 0.85 CYP1A1 (0.36) CYP1A2SMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL20174303 0.84 ACACA (0.37) ACACACYP1A2SMN1; SMN2TP53HIF1A
SCHEMBL20174312 0.82 MAPK1 (0.32) ACACAALDH1A1HPGDMAPTMEN1
SCHEMBL20174384 0.82 CYP1A1 (0.40) ACACACYP1A2SMN1; SMN2TP53ALDH1A1
SCHEMBL20174370 0.82 CYP1A1 (0.36) CYP1A2SMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL22326560 0.81 CYP1A1 (0.37) CYP1A2ALDH1A1HPGDKDM4EMAPT
SCHEMBL20174363 0.81 PDK2 (0.34) ACACAALDH1A1HPGDKDM4EMAPT
SCHEMBL20174316 0.81 ALDH1A1 (0.34) CYP1A2SMN1; SMN2TP53ALDH1A1HPGD

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 ACACA 2815/4885CYP1A2 436/4885SMN1; SMN2 3407/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ACACA 2815/4885CYP1A2 436/4885SMN1; SMN2 3407/4885

“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.