SCHEMBL20174620

SCHEMBL20174620

c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3sc3ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP1A2 P05177 2/20 0.34
S1PR5 Q9H228 5/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
CTRC Q99895 1/20 0.34
PIM1 P11309 1/20 0.33
S1PR4 O95977 4/20 0.33
NTSR1 P30989 1/20 0.33
GLA P06280 1/20 0.32
RAC1 P63000 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL22326567 1.00 CYP1A1 (0.41) CYP1A1CYP1B1CYP1A2S1PR5ALDH1A1
SCHEMBL20174619 0.97 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2S1PR5ALDH1A1
SCHEMBL20174624 0.97 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2S1PR5ALDH1A1
SCHEMBL20174735 0.96 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2S1PR5ALDH1A1
SCHEMBL20174626 0.96 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2S1PR5ALDH1A1
SCHEMBL20174628 0.94 CYP1A1 (0.37) CYP1A1CYP1B1CYP1A2S1PR5ALDH1A1
SCHEMBL20174629 0.93 CYP1A1 (0.36) CYP1A1CYP1B1CYP1A2S1PR5ALDH1A1
SCHEMBL20174644 0.93 S1PR5 (0.35) CYP1A2S1PR5ALDH1A1MAPTHPGD
SCHEMBL20174605 0.92 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL20174612 0.91 S1PR5 (0.36) CYP1A1CYP1B1CYP1A2S1PR5ALDH1A1

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 CYP1A1 726/4885CYP1B1 725/4885CYP1A2 436/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG CYP1A1 726/4885CYP1B1 725/4885CYP1A2 436/4885

“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.