SCHEMBL20174283

SCHEMBL20174283

c1ccc(-c2ccc(-c3cccc4c3-c3oc5ccccc5c3C43c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 2/20 0.35
KMT2A Q03164 2/20 0.35
DDR2 Q16832 1/20 0.35
CA12 O43570 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ABCB1 P08183 1/20 0.35
CALM1 P0DP23 1/20 0.35
AR P10275 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CA9 Q16790 1/20 0.35
NTRK1 P04629 1/20 0.35
PLK3 Q9H4B4 1/20 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
SCHEMBL20174231 0.91 MAPT (0.34) CA1CA2KDM4EMEN1CYP3A4
SCHEMBL20198968 0.89
SCHEMBL20174263 0.89 KMT2A (0.36) KDM4EMEN1KMT2ALMNAMAPK1
SCHEMBL20174237 0.86 PLA2G2A (0.32) CA1CA2KDM4EMEN1CYP3A4
SCHEMBL20174212 0.86 KMT2A (0.33) KDM4EMEN1CYP3A4KMT2ALMNA
SCHEMBL20174247 0.85 ADORA3 (0.34) CA1CA2KDM4EMEN1CYP3A4
SCHEMBL20198930 0.85
SCHEMBL23592377 0.84 DDR2 (0.31) CA1CA2KDM4EMEN1CYP3A4
SCHEMBL20174715 0.84 PDK2 (0.39) KDM4ETP53MAPK1NTRK1PLK3
SCHEMBL23592412 0.84 DDR2 (0.31) CA1CA2KDM4EMEN1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG CA1 3361/4885CA2 3615/4885KDM4E 3633/4885

“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.