SCHEMBL20174706

SCHEMBL20174706

Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1oc1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
NMUR2 Q9GZQ4 2/20 0.37
TNKS O95271 1/20 0.34
GABRP O00591 4/20 0.33
GABRD O14764 4/20 0.33
GABRA1 P14867 4/20 0.33
GABRB1 P18505 4/20 0.33
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRA3 P34903 4/20 0.33
GABRA2 P47869 4/20 0.33
GABRB2 P47870 4/20 0.33
GABRA4 P48169 4/20 0.33
GABRE P78334 4/20 0.33
GABRA6 Q16445 4/20 0.33
GABRG1 Q8N1C3 4/20 0.33
GABRG3 Q99928 4/20 0.33
GABRQ Q9UN88 4/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL20175200 0.93 AHR (0.38) PDK2NMUR2TNKSGABRPGABRD
SCHEMBL20174745 0.87 NTRK1 (0.37) NMUR2ALKALOX5
SCHEMBL20199299 0.81 PDK2 (0.42) PDK2CA1CA2
SCHEMBL18034339 0.81 PDK2 (0.38) PDK2NMUR2TNKSGABRPGABRD
SCHEMBL18034445 0.81 PDK2 (0.38) PDK2NMUR2TNKSGABRPGABRD
SCHEMBL19395172 0.80 PDK2 (0.37) PDK2NMUR2TNKSGABRPGABRD
SCHEMBL16232653 0.80 ALOX5 (0.39) PDK2NMUR2TNKSGABRPGABRD
SCHEMBL19395176 0.80 PDK2 (0.37) PDK2NMUR2TNKSGABRPGABRD
SCHEMBL20199301 0.80 PDK2 (0.45) PDK2TNKSCA1CA2
SCHEMBL15990196 0.80 ALOX5 (0.39) PDK2NMUR2TNKSGABRPGABRD

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
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885NMUR2 1779/4885TNKS 3424/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885NMUR2 1779/4885TNKS 3424/4885

“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.