SCHEMBL2851432

SCHEMBL2851432

Nc1ccccc1/C=C(/C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.47
AKR1C1 Q04828 2/20 0.46
POLB P06746 3/20 0.44
MAPT P10636 2/20 0.41
CYP1B1 Q16678 1/20 0.41
KMT2A Q03164 3/20 0.40
AKR1C2 P52895 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3771814 1.00 AKR1C3 (0.47) AKR1C3AKR1C1POLBMAPTCYP1B1
SCHEMBL599334 0.81 AKR1C1 (0.49) AKR1C3AKR1C1POLBMAPTKMT2A
SCHEMBL599335 0.81 AKR1C1 (0.49) AKR1C3AKR1C1POLBMAPTKMT2A
SCHEMBL1758233 0.80 HTT (0.43) AKR1C3AKR1C1POLBKMT2AAKR1C2
SCHEMBL1758234 0.80 HTT (0.43) AKR1C3AKR1C1POLBKMT2AAKR1C2
SCHEMBL5125335 0.80 HTT (0.43) AKR1C3AKR1C1POLBKMT2AAKR1C2
Hydrochloric Acid SCHEMBL599819 0.79 AKR1C1 (0.47) AKR1C3AKR1C1POLBMAPTKMT2A
Hydrochloric Acid SCHEMBL599818 0.79 AKR1C1 (0.47) AKR1C3AKR1C1POLBMAPTKMT2A
SCHEMBL2844597 0.77 MEN1 (0.49) AKR1C3AKR1C1MAPTKMT2AMEN1
SCHEMBL3778274 0.77 MEN1 (0.49) AKR1C3AKR1C1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993123-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-31 US disclosed
US-8993123-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-31 US disclosed
US-8993123-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-31 US disclosed
US-20100327270-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
US-20100327270-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
US-20100327270-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
EP-2240425-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2010-10-20 EP disclosed
WO-2009100925-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-08-20 WO disclosed
WO-2009100925-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-08-20 WO 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-20100327270-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, ELAVL1, EPCAM AKR1C3 4091/4885AKR1C1 3590/4885POLB 1401/4885

“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.