SCHEMBL20174740

SCHEMBL20174740

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1sc1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
OPRK1 P41145 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
HSP90AA1 P07900 1/20 0.33
ALK Q9UM73 1/20 0.32
ALDH1A1 P00352 3/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
PTPN1 P18031 1/20 0.31
TDP1 Q9NUW8 3/20 0.30
POLB P06746 2/20 0.30
ALOX5 P09917 1/20 0.30
DUSP3 P51452 1/20 0.30
BLM P54132 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
SCHEMBL20174702 0.88 PDK2 (0.41) GPR3MAPTMEN1KMT2AKDM4E
SCHEMBL20174699 0.86 PDK2 (0.42) GPR3L3MBTL1
SCHEMBL20199304 0.85 PDK2 (0.35) GPR3L3MBTL1PTPN1
SCHEMBL20199274 0.84 PDK2 (0.34) ALK
SCHEMBL20179324 0.84 PDK2 (0.34) ALK
SCHEMBL20174916 0.84 PDK2 (0.34) ALK
SCHEMBL20174663 0.83 PDK2 (0.47) KDM4ERAB9ANPC1
SCHEMBL20199223 0.83 PDK2 (0.33) ALK
SCHEMBL20199305 0.82 GABRA1 (0.33) MAPTKMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL19008468 0.82 MEN1 (0.35) MAPTMEN1KMT2AKDM4ELMNA

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-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

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 2438/4885MAPT 821/4885MEN1 1032/4885
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 GPR3 2438/4885MAPT 821/4885MEN1 1032/4885

“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.