SCHEMBL20174745

SCHEMBL20174745

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1oc1ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
CYP3A4 P08684 2/20 0.35
GLA P06280 1/20 0.35
PGAM1 P18669 1/20 0.35
MAOA P21397 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
OPRK1 P41145 1/20 0.35
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL20174706 0.87 PDK2 (0.40) ALKNMUR2ALOX5
SCHEMBL20199299 0.86 PDK2 (0.42) NTRK1PLK3MAOA
SCHEMBL20174697 0.83 NMUR2 (0.36) NTRK1PLK3SMN1; SMN2ALDH1A1HPGD
SCHEMBL20174405 0.83 MCL1 (0.35) KDM4EALDH1A1MAPTHPGDMAOA
SCHEMBL20174863 0.83 ALK (0.33) ALK
SCHEMBL20199301 0.83 PDK2 (0.45) ALDH1A1MAPTMAPK1AHR
SCHEMBL20199052 0.83 ALK (0.33) ALK
SCHEMBL20199068 0.82 ALK (0.33) ALK
SCHEMBL20174419 0.82 PDK2 (0.46) ALK
SCHEMBL20175200 0.81 AHR (0.38) MAOANMUR2AHR

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-11075342-B2 Spiro-type compound and organic light emitting diode comprising same LG CHEM, LTD. 2021-07-27 US disclosed
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE 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-11075342-B2 Spiro-type compound and organic light emitting diode comprising same CRY1, NR2E3, ALDH1A2 NTRK1 4589/4885PLK3 2243/4885SMN1; SMN2 3818/4885
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 NTRK1 4589/4885PLK3 2243/4885SMN1; SMN2 3818/4885

“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.