SCHEMBL21176153

SCHEMBL21176153

c1cc2ccc3ccc(-c4ccc5c6ccccc6c6c7ccccc7c7ccccc7c6c5c4)c4ccc(c1)c2c34

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 6/20 0.55
HPGD P15428 5/20 0.55
CYP1A2 P05177 3/20 0.55
THRB P10828 1/20 0.55
ERBB2 P04626 1/20 0.55
FYN P06241 1/20 0.55
MAOA P21397 1/20 0.55
ACHE P22303 1/20 0.55
AHR P35869 1/20 0.55
TSHR P16473 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPRT1 P00492 3/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAPK1 P28482 3/20 0.38
CASP1 P29466 2/20 0.38
HIF1A Q16665 2/20 0.38

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
SCHEMBL23879989 0.97 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4136288 0.93 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL16714162 0.88 CYP1A2 (0.49) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4139940 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4138389 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL16714163 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2789566 0.84 GSTP1 (0.52) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2961222 0.83 CYP1A2 (0.48) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL12200676 0.83 ESR2 (0.51) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL17300208 0.82 CYP1A2 (0.41) ALDH1A1HSD17B10HPGDCYP1A2THRB

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-11139438-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-10-05 US disclosed
US-20190280209-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JNC CORPORATION (JP) 2019-09-12 US disclosed
US-20190229277-A1 ORGANIC ELECTROLUMINESCENT ELEMENT KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2019-07-25 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-20190229277-A1 ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, NFE2L2, ESR2 ALDH1A1 1977/4885HSD17B10 2369/4885HPGD 2690/4885
US-11139438-B2 Organic electroluminescent element ELP1, NFE2L2, ESR2 ALDH1A1 1977/4885HSD17B10 2369/4885HPGD 2690/4885

“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.