SCHEMBL4456359

SCHEMBL4456359

Br/C(=C\c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.50
FBP1 P09467 1/20 0.47
AKR1C3 P42330 1/20 0.46
PRMT1 Q99873 1/20 0.45
ESR1 P03372 1/20 0.45
CYP19A1 P11511 2/20 0.43
CYP11B2 P19099 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 2/20 0.40
PLIN1 O60240 1/20 0.40

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
SCHEMBL5082563 1.00 AKR1C1 (0.50) AKR1C1FBP1AKR1C3PRMT1ESR1
SCHEMBL28465740 0.85 CYP19A1 (0.66) AKR1C1FBP1CYP19A1CYP11B2LMNA
SCHEMBL28465290 0.80 ALDH1A1 (0.58) FBP1LMNAMAPTALDH1A1KDM4E
SCHEMBL9805619 0.78 TSHR (0.58) AKR1C3LMNAMAPTALDH1A1HTT
SCHEMBL3911150 0.76 AKR1C3 (0.52) AKR1C1FBP1AKR1C3PRMT1ESR1
SCHEMBL180460 0.76 AKR1C3 (0.52) AKR1C1FBP1AKR1C3PRMT1ESR1
SCHEMBL13997261 0.76 AKR1C3 (0.52) AKR1C1FBP1AKR1C3PRMT1ESR1
SCHEMBL16933770 0.74 CES2 (0.39) MAPTALDH1A1MEN1POLBMAPK1
SCHEMBL389392 0.74 AKR1C1 (0.54) AKR1C1AKR1C3PRMT1ESR1CYP19A1
SCHEMBL11365790 0.74 CES2 (0.39) MAPTALDH1A1MEN1POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4713421-A ADDING POLYMERIZATION INHIBITOR AT 60 TO 95% CONVERSION STANDARD OIL COMPANY (INDIANA) (US) 1987-12-15 US claimed
US-8828559-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-09-09 US disclosed
US-8828559-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-09-09 US disclosed
US-20130113367-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-05-09 US disclosed
US-20130113367-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-05-09 US disclosed
WO-2009025711-A1 FLAME RETARDANT THERMOPLASTIC ELASTOMER COMPOSITIONS TEKNOR APEX COMPANY (US) 2009-02-26 WO disclosed
EP-1592698-B1 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2008-03-26 EP disclosed
US-7129367-B2 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-10-31 US disclosed
US-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-16 US disclosed
US-5501804-A Apparatus and process for blending elastomer particles and solution into a uniform mixture AMOCO CORPORATION (US) 1996-03-26 US disclosed
US-4713421-A ADDING POLYMERIZATION INHIBITOR AT 60 TO 95% CONVERSION STANDARD OIL COMPANY (INDIANA) (US) 1987-12-15 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-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex SQLE, C9, PHOSPHO1 AKR1C1 2123/4885FBP1 2149/4885AKR1C3 1809/4885
US-20130113367-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TELO2, ARL1, CRY1 AKR1C1 1072/4885FBP1 3189/4885AKR1C3 1219/4885

“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.