SCHEMBL20199305

SCHEMBL20199305

Clc1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3c2sc2ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC9A1 P19634 1/20 0.32
PTPN1 P18031 1/20 0.32
ALOX5 P09917 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PDK2 Q15119 2/20 0.31
SLC6A4 P31645 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20174740 0.82 GPR3 (0.40) KDM4EPTPN1ALOX5L3MBTL1HSP90AA1
SCHEMBL20175194 0.81 PTPN1 (0.32) PTPN1
SCHEMBL19011110 0.79 PDK2 (0.42) KDM4ESLC6A3PDK2SLC6A4MAPT
SCHEMBL20175180 0.79 PDK2 (0.32) SLC9A1PTPN1PDK2
SCHEMBL20199289 0.79 PTPN1 (0.31) PTPN1
SCHEMBL20174699 0.79 PDK2 (0.42) SLC9A1L3MBTL1PDK2
SCHEMBL20174591 0.78 L3MBTL1 (0.33) KDM4ESLC9A1L3MBTL1HSP90AA1PDK2
SCHEMBL20174564 0.77 SLC9A1 (0.33) KDM4ESLC9A1ALOX5L3MBTL1ALDH1A1
SCHEMBL20175206 0.77 PDK2 (0.36) KDM4EPDK2ALDH1A1
SCHEMBL20174681 0.76 ACACA (0.38) KDM4ESLC9A1L3MBTL1NPC1ALDH1A1

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-10781366-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-09-22 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-10781366-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG GABRA1 2585/4885GABRA5 3121/4885KDM4E 3633/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG GABRA1 2585/4885GABRA5 3121/4885KDM4E 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.