SCHEMBL20005309

SCHEMBL20005309

c1cc(OCCOc2ccc3c(c2)CC3)ccc1OCCOc1ccc2c(c1)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.57
PPARD Q03181 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
HRH3 Q9Y5N1 4/20 0.51
PPARA Q07869 1/20 0.51
TSHR P16473 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HRH1 P35367 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL20403001 0.89 HRH3 (0.54) PPARGPPARDSMN1; SMN2HRH3TSHR
SCHEMBL9720056 0.89 PPARG (0.64) PPARGPPARDSMN1; SMN2HRH3PPARA
SCHEMBL10071529 0.88 HRH3 (0.50) PPARGPPARDSMN1; SMN2HRH3PPARA
SCHEMBL10071533 0.85 HRH3 (0.51) PPARGPPARDSMN1; SMN2HRH3PPARA
SCHEMBL10071518 0.85 HRH3 (0.55) SMN1; SMN2HRH3TSHRALOX15HSD17B10
SCHEMBL9720017 0.85 PPARG (0.64) PPARGPPARDSMN1; SMN2HRH3PPARA
SCHEMBL9720055 0.84 ALOX15 (0.59) PPARGPPARDSMN1; SMN2HRH3PPARA
SCHEMBL19998964 0.83 HRH3 (0.47) PPARGPPARDSMN1; SMN2HRH3PPARA
SCHEMBL17899737 0.82 HRH3 (0.49) PPARGPPARDSMN1; SMN2HRH3TSHR
SCHEMBL10071532 0.82 HRH3 (0.53) PPARGPPARDSMN1; SMN2HRH3PPARA

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-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD (JP) 2018-03-29 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-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A1, SLC1A2, SLC43A1 PPARG 3767/4885PPARD 4649/4885SMN1; SMN2 4756/4885

“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.