SCHEMBL20174739

SCHEMBL20174739

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2oc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
NMUR2 Q9GZQ4 2/20 0.37
KDM4E B2RXH2 8/20 0.35
CYP3A4 P08684 7/20 0.35
HSD17B10 Q99714 6/20 0.35
HPGD P15428 6/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 4/20 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
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
LMNA P02545 2/20 0.35
OPRK1 P41145 1/20 0.35
CYP2C9 P11712 3/20 0.35

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
SCHEMBL18506266 0.92 NTRK1 (0.37) NTRK1PLK3NMUR2KDM4ECYP3A4
SCHEMBL18582824 0.87 NMUR2 (0.42) NTRK1PLK3NMUR2MAPTSMN1; SMN2
SCHEMBL20174690 0.85 PDK2 (0.41) NTRK1PLK3NMUR2MAOAL3MBTL1
SCHEMBL22326529 0.84 PLA2G2A (0.39) NTRK1PLK3KDM4ECYP3A4HSD17B10
SCHEMBL20179314 0.83 PDK2 (0.33) NTRK1PLK3ALOX5
SCHEMBL20198890 0.83 PDK2 (0.33) NTRK1PLK3ALOX5
SCHEMBL18582604 0.83 PLA2G2A (0.37) NTRK1PLK3KDM4ECYP3A4HSD17B10
SCHEMBL20174744 0.83 PDK2 (0.33) NTRK1PLK3ALOX5
SCHEMBL20198959 0.83 KDM4E (0.31) NTRK1PLK3KDM4ECYP3A4MAPT
SCHEMBL20174750 0.83 PDK2 (0.33) NTRK1PLK3ALOX5

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 2243/4885NMUR2 2034/4885
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 NTRK1 4589/4885PLK3 2243/4885NMUR2 2034/4885

“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.