SCHEMBL22930689

SCHEMBL22930689

Cc1cccc2c1-c1cc3oc4ccccc4c3cc1C21c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.41
MAOA P21397 1/20 0.41
PGR P06401 2/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 6/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PDK2 Q15119 1/20 0.36
GAA P10253 3/20 0.35
BCAT1 P54687 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL22930687 0.96 PGR (0.41) AHRMAOAPGRCYP1A2HPGD
SCHEMBL21742869 0.85 HPGD (0.38) AHRMAOAPGRCYP1A2HPGD
SCHEMBL21742676 0.85 HPGD (0.38) AHRMAOAPGRCYP1A2HPGD
SCHEMBL18731701 0.85 AHR (0.51) AHRMAOAPGRCYP1A2HPGD
SCHEMBL18731687 0.85 AHR (0.51) AHRMAOAPGRHPGDALDH1A1
SCHEMBL16491690 0.83 AHR (0.53) AHRMAOAPGRCYP1A2HPGD
SCHEMBL13467921 0.82 AHR (0.51) AHRMAOAPGRCYP1A2HPGD
SCHEMBL22930617 0.81 PDK2 (0.35) MAOAHPGDALDH1A1KDM4EMAPT
SCHEMBL22930616 0.81 ALOX5 (0.39) PGRHPGDALDH1A1KDM4EMAPT
SCHEMBL18732005 0.81 AHR (0.50) AHRMAOAPGRHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10910567-B2 Double spiro-type compound and organic light emitting diode comprising same LG CHEM, LTD. 2021-02-02 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-10910567-B2 Double spiro-type compound and organic light emitting diode comprising same NR2E3, ALDH1A2, CRY1 AHR 668/4885MAOA 3311/4885PGR 735/4885

“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.