SCHEMBL20174318

SCHEMBL20174318

c1ccc(-c2ccc(-c3ccc4c(c3)-c3oc5ccccc5c3C43c4ccccc4-c4ccccc43)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.40
DHODH Q02127 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALOX5 P09917 1/20 0.33
NPY5R Q15761 1/20 0.32
PRKDC P78527 1/20 0.32
HSD17B10 Q99714 4/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 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
SCHEMBL20174295 0.95 PDK2 (0.44) PDK2DHODHHSD11B1ALOX5NPY5R
SCHEMBL22326529 0.86 PLA2G2A (0.39) PDK2ALOX5HSD17B10ALDH1A1KDM4E
SCHEMBL20174715 0.85 PDK2 (0.39) PDK2DHODHHSD11B1ALOX5NPY5R
SCHEMBL20174214 0.84 PDK2 (0.36) PDK2DHODHALDH1A1HPGDMAPK1
SCHEMBL20174202 0.84 PDK2 (0.36) PDK2DHODHALDH1A1HPGDMAPK1
SCHEMBL20174215 0.84 PDK2 (0.36) PDK2DHODHALDH1A1HPGDMAPK1
SCHEMBL20174223 0.83 KMT2A (0.37) PDK2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL20174217 0.83 KMT2A (0.37) PDK2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL20174282 0.82 KDM4E (0.38) ALOX5HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL20174423 0.82 PDK2 (0.40) PDK2DHODHHSD11B1ALOX5NPY5R

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 651/4885DHODH 189/4885HSD11B1 196/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885DHODH 189/4885HSD11B1 196/4885

“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.