SCHEMBL17533936

SCHEMBL17533936

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2sc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
ALOX5 P09917 1/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.35
PARP14 Q460N5 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
F9 P00740 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 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
SCHEMBL17367237 0.88 GPR3 (0.36) GPR3ALOX5MAPTMEN1KMT2A
SCHEMBL18582210 0.87 PDK2 (0.40) GPR3ALOX5L3MBTL1
SCHEMBL20174701 0.85 PDK2 (0.41) GPR3ALOX5L3MBTL1HSP90AA1
SCHEMBL20199172 0.83 KDM4E (0.31) ALOX5MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL18582994 0.83 L3MBTL1 (0.36) ALOX5MEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL20174805 0.83 PDK2 (0.33) ALOX5
SCHEMBL20199122 0.83 PDK2 (0.33) ALOX5
SCHEMBL17716718 0.82 DHFR (0.30)
SCHEMBL17716690 0.82 L3MBTL1 (0.35) ALOX5MEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL18590012 0.82 PDK2 (0.36) ALOX5MEN1KMT2AL3MBTL1HSP90AA1

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 4 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
WO-2016023458-A1 NOVEL CARBO- AND HETEROCYCLIC SPIRO COMPOUNDS AS DONOR MATERIALS FOR ORGANIC PHOTOVOLTAICS AND THEIR PREPARATION THE UNIVERSITY OF HONG KONG (CN) 2016-02-18 WO 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 GPR3 2438/4885ALOX5 2347/4885MAPT 821/4885
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 GPR3 2438/4885ALOX5 2347/4885MAPT 821/4885

“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.