SCHEMBL20174850

SCHEMBL20174850

c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc42)c2c-3sc3ccccc23)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.31
GPR3 P46089 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX5 P09917 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
SCHEMBL20174841 1.00 PDK2 (0.31) PDK2GPR3ALDH1A1POLBMAPT
SCHEMBL20199157 0.95 ALOX5 (0.33) ALOX5
SCHEMBL20174805 0.94 PDK2 (0.33) PDK2ALOX5
SCHEMBL20199122 0.94 PDK2 (0.33) PDK2ALOX5
SCHEMBL20199134 0.93 PDK2 (0.33) PDK2
SCHEMBL20174853 0.93 ALOX5 (0.31) ALOX5
SCHEMBL20199128 0.92 PDK2 (0.31) PDK2
SCHEMBL20174849 0.92
SCHEMBL20175079 0.91
SCHEMBL20174809 0.90 ALOX5 (0.33) PDK2ALOX5

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 PDK2 580/4885GPR3 2438/4885ALDH1A1 37/4885
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 PDK2 580/4885GPR3 2438/4885ALDH1A1 37/4885

“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.