SCHEMBL12925905

SCHEMBL12925905

Cc1c(Br)cc(-c2ccccc2)cc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ PTGS1 P23219 1/20 0.42
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MAOA P21397 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ HPRT1 P00492 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ APAF1 O14727 1/20 0.35

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
SCHEMBL21917366 0.90 CRHBP (0.52) CRHBPCRHR2PTGS1AKR1C4AKR1C3
SCHEMBL16504006 0.78 CRHBP (0.47) CRHBPCRHR2AKR1C4AKR1C3AKR1C2
SCHEMBL20663065 0.75 PTGS1 (0.58) CRHBPCRHR2PTGS1ALDH1A1HPRT1
SCHEMBL9348512 0.75 ALDH1A1 (0.46) CRHBPCRHR2PTGS1AKR1C3AKR1C2
SCHEMBL15197449 0.75 CRHBP (0.47) CRHBPCRHR2AKR1C4AKR1C3AKR1C2
SCHEMBL28220857 0.75 MAOB (0.49) CRHBPCRHR2PTGS1ALDH1A1MAPK1
SCHEMBL30046055 0.74 MAPK1 (0.70) CRHBPCRHR2ALDH1A1MAPK1MAOA
SCHEMBL29934895 0.74 MAPK1 (0.70) CRHBPCRHR2ALDH1A1MAPK1MAOA
SCHEMBL19107130 0.74 MAPK1 (0.70) CRHBPCRHR2ALDH1A1MAPK1MAOA
SCHEMBL16617019 0.74 MAPK1 (0.70) CRHBPCRHR2ALDH1A1MAPK1MAOA

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-8852757-B2 Organic electroluminescence element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-10-07 — — US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 — — US disclosed
US-20100045171-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2010-02-25 — — 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 (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-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL CRHBP 4747/4885CRHR2 4379/4885PTGS1 4296/4885

“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