SCHEMBL20174305

SCHEMBL20174305

O=P(c1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2oc3ccccc3c21)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
NTRK1 P04629 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
HNF4A P41235 1/20 0.30

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
SCHEMBL20174729 0.83 KDM4E (0.31) KDM4ELMNAPOLB
SCHEMBL20174739 0.78 NTRK1 (0.40) KDM4ELMNANTRK1PLK3
SCHEMBL20174558 0.74 KDM4E (0.32) KDM4ELMNAPOLB
SCHEMBL20174306 0.74 NTRK1 (0.34) NTRK1PLK3
SCHEMBL20174208 0.73 ALDH1A1 (0.40) KDM4ELMNAPOLB
SCHEMBL20174309 0.73 NTRK1 (0.31) NTRK1PLK3
SCHEMBL20174679 0.71 KDM4E (0.31) KDM4ELMNAPOLB
SCHEMBL18506266 0.71 NTRK1 (0.37) KDM4ELMNANTRK1PLK3
SCHEMBL18582824 0.70 NMUR2 (0.42) NTRK1PLK3
SCHEMBL20174281 0.70 ALOX5 (0.34) KDM4ENTRK1PLK3HNF4A

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 KDM4E 3633/4885LMNA 3057/4885POLB 4154/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KDM4E 3633/4885LMNA 3057/4885POLB 4154/4885

“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.