SCHEMBL20174680

SCHEMBL20174680

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccccc4n3)cc2-c2c1sc1ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 5/20 0.37
S1PR5 Q9H228 7/20 0.34
S1PR4 O95977 6/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL20174616 0.87 CYP1A1 (0.36) S1PR5S1PR4MEN1KMT2ACYP1A2
SCHEMBL20174634 0.87 CYP1A1 (0.37) S1PR5S1PR4CYP1A2ALDH1A1HPGD
SCHEMBL20174631 0.85 CYP1A1 (0.36) S1PR5S1PR4MEN1KMT2ACYP1A2
SCHEMBL20174559 0.85 S1PR5 (0.39) ACACAS1PR5S1PR4MEN1KMT2A
SCHEMBL20174620 0.83 CYP1A1 (0.41) S1PR5S1PR4MEN1KMT2ACYP1A2
SCHEMBL22326567 0.83 CYP1A1 (0.41) S1PR5S1PR4MEN1KMT2ACYP1A2
SCHEMBL20174629 0.82 CYP1A1 (0.36) S1PR5S1PR4MEN1KMT2ACYP1A2
SCHEMBL20174734 0.82 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL20174570 0.82 ALOX5 (0.32) ACACAKDM4EMAPT
SCHEMBL20174736 0.82 S1PR5 (0.35) S1PR5S1PR4MEN1KMT2ACYP1A2

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 ACACA 2815/4885S1PR5 3034/4885S1PR4 1783/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ACACA 2815/4885S1PR5 3034/4885S1PR4 1783/4885

“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.