SCHEMBL20174834

SCHEMBL20174834

c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3-c3sc4ccccc4c32)c2ccc3ccccc3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.32
S1PR5 Q9H228 3/20 0.32
PDK2 Q15119 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
SCHEMBL20199105 1.00 S1PR4 (0.32) S1PR4S1PR5PDK2
SCHEMBL20174825 1.00 S1PR4 (0.32) S1PR4S1PR5PDK2
SCHEMBL20199126 0.97 S1PR4 (0.31) S1PR4S1PR5
SCHEMBL20199103 0.95 S1PR5 (0.34) S1PR4S1PR5
SCHEMBL20174831 0.94
SCHEMBL20199164 0.94
SCHEMBL20199122 0.93 PDK2 (0.33) PDK2
SCHEMBL20174805 0.93 PDK2 (0.33) PDK2
SCHEMBL20199134 0.92 PDK2 (0.33) PDK2
SCHEMBL20175057 0.91

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 S1PR4 1622/4885S1PR5 3224/4885PDK2 580/4885
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 S1PR4 1622/4885S1PR5 3224/4885PDK2 580/4885

“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.