SCHEMBL20276946

SCHEMBL20276946

COc1ccc2c(c1)c1cc(OC)ccc1n2-c1cc(-c2ccc(C(F)(F)F)cc2)c(-n2c3ccc(OC)cc3c3cc(OC)ccc32)cc1-c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 4/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ CACNA1D Q01668 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ CASR P41180 1/20 0.37
▸ GRIK1 P39086 1/20 0.36
▸ GRIK2 Q13002 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL20282550 0.95 MAOB (0.46) AKR1C3AKR1C2MAOBCACNA1DPPARG
SCHEMBL19795566 0.88 CACNA1D (0.41) AKR1C3AKR1C2MAOBCACNA1DPPARG
SCHEMBL17950039 0.88 MAOB (0.44) AKR1C3AKR1C2MAOBCACNA1DPPARG
SCHEMBL18361012 0.86 CACNA1D (0.45) AKR1C3AKR1C2MAOBCACNA1DPPARG
SCHEMBL20364438 0.83 PPARG (0.43) AKR1C3AKR1C2CACNA1DPPARGKDM4E
SCHEMBL19795550 0.82 CACNA1D (0.44) AKR1C3AKR1C2CACNA1DPPARGKDM4E
SCHEMBL19795554 0.82 CACNA1D (0.44) AKR1C3AKR1C2CACNA1DPPARGKDM4E
SCHEMBL21757941 0.81 MAOB (0.42) AKR1C3AKR1C2MAOBCACNA1DPPARG
SCHEMBL18361117 0.81 PPARG (0.46) AKR1C3AKR1C2CACNA1DPPARGKDM4E
SCHEMBL18361106 0.80 CACNA1D (0.48) AKR1C3AKR1C2CACNA1DPPARGKDM4E

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-20230295490-A1 LIGHT-EMITTING NANOPARTICLES AND LIGHT-EMITTING LABELING MATERIAL FOR PATHOLOGICAL DIAGNOSIS Konica Minolta, Inc. (JP) 2023-09-21 — — US disclosed
US-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE Konica Minolta, Inc. (JP) 2018-06-21 — — 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-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE OCIAD2, ZYX, OCIAD1 AKR1C3 4600/4885AKR1C2 4489/4885MAOB 665/4885

“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.

Send feedback