SCHEMBL20175197

SCHEMBL20175197

Clc1cccc2c1-c1c(oc3ccccc13)C21c2ccccc2-c2c(Br)cccc21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.37
NMUR2 Q9GZQ4 1/20 0.33
AHR P35869 1/20 0.31
ELANE P08246 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
SCHEMBL20199299 0.90 PDK2 (0.42) PDK2
SCHEMBL20174697 0.90 NMUR2 (0.36) PDK2NMUR2AHR
SCHEMBL30517278 0.78 PDK2 (0.49) PDK2ELANE
SCHEMBL21296008 0.78 PDK2 (0.49) PDK2ELANE
SCHEMBL20174745 0.77 NTRK1 (0.37) NMUR2AHR
SCHEMBL20175220 0.76
SCHEMBL20174690 0.76 PDK2 (0.41) PDK2NMUR2
SCHEMBL16491720 0.74 PDK2 (0.40) PDK2AHR
SCHEMBL16491662 0.73 PDK2 (0.40) PDK2AHR
SCHEMBL20175087 0.73 ALK (0.31) PDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360868-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-09-20 EP 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 (1 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-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 PDK2 580/4885NMUR2 2034/4885AHR 1063/4885

“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.