SCHEMBL20174295

SCHEMBL20174295

c1ccc(-c2ccc3c(c2)-c2oc4ccccc4c2C32c3ccccc3-c3ccccc32)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
PRKDC P78527 1/20 0.35
NPY5R Q15761 1/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
DHODH Q02127 1/20 0.32
HSD11B1 P28845 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL20174318 0.95 PDK2 (0.40) PDK2PRKDCNPY5RALOX5ALDH1A1
SCHEMBL20174715 0.85 PDK2 (0.39) PDK2PRKDCNPY5RALOX5ALDH1A1
SCHEMBL20174282 0.84 KDM4E (0.38) ALOX5ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL22326529 0.83 PLA2G2A (0.39) PDK2ALOX5ALDH1A1HSD17B10KDM4E
SCHEMBL20174416 0.81 PDK2 (0.44) PDK2PRKDCNPY5RALOX5ALDH1A1
SCHEMBL20174332 0.80 KDM4E (0.36) PDK2ALOX5ALDH1A1HSD17B10KDM4E
SCHEMBL20174214 0.80 PDK2 (0.36) PDK2ALDH1A1HPGDMAPTMAPK1
SCHEMBL22326524 0.80 KMT2A (0.36) PDK2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL20174202 0.80 PDK2 (0.36) PDK2ALDH1A1HPGDMAPTMAPK1
SCHEMBL20174215 0.80 PDK2 (0.36) PDK2ALDH1A1HPGDMAPTMAPK1

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 PDK2 651/4885PRKDC 4677/4885NPY5R 4434/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885PRKDC 4677/4885NPY5R 4434/4885

“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.