SCHEMBL2853330

SCHEMBL2853330

COc1ccc(CC(C)=O)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.58
HDAC6 Q9UBN7 4/20 0.58
ALDH1A1 P00352 3/20 0.54
ABL1 P00519 1/20 0.54
RIN1 Q13671 1/20 0.54
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL138449 0.86 GAA (0.68) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL28745588 0.86 GAA (0.50) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL136681 0.85 HDAC1 (0.60) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL1462899 0.85 HDAC1 (0.57) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL2734577 0.85 ABL1 (0.59) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL5421112 0.84 HDAC1 (0.44) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL29354607 0.84 LMNA (0.61) ALDH1A1GAALMNAKDM4ETDP1
SCHEMBL187562 0.84 LMNA (0.61) ALDH1A1GAALMNAKDM4ETDP1
SCHEMBL7848228 0.83 KDM4E (0.56) HDAC1HDAC6ALDH1A1ABL1RIN1
SCHEMBL16930166 0.83 HDAC1 (0.56) HDAC1HDAC6ALDH1A1ABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102260156-A Method for preparing medicinal intermediate of p-methoxypropiophenone 2011-11-30 CN disclosed
US-7645903-B2 immunoglobulins; affinity chromatography GE HEALTHCARE BIO-SCIENCES AB (SE) 2010-01-12 US disclosed
US-20090138208-A1 IMMUNOGLOBULIN G BINDING POCKET GE HEALTHCARE BIO-SCIENCES AB (SE) 2009-05-28 US disclosed
US-20060014735-A1 Use of urea variants as affinity ligands CYTIVA BIOPROCESS R&D AB (SE) 2006-01-19 US disclosed
WO-2004039843-A1 IMMUNOGLOBULIN G BINDING POCKET AMERSHAM BIOSCIENCES AB (SE) 2004-05-13 WO disclosed
WO-2004039765-A1 USE OF UREA VARIANTS AS AFFINITY LIGANDS AMERSHAM BIOSCIENCES AB (SE) 2004-05-13 WO disclosed
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5877191-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS MERCK & CO., INC. (US) 1999-03-02 US disclosed
WO-1998017660-A1 PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 WO disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP 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-20060014735-A1 Use of urea variants as affinity ligands IGLV6-57, FCGR2A, FCGR3B HDAC1 4024/4885HDAC6 2606/4885ALDH1A1 3186/4885

“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.