SCHEMBL7565035

SCHEMBL7565035

CCCC(=O)OCc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
MAOB P27338 1/20 0.45
MMP1 P03956 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HTT P42858 1/20 0.43
RXRA P19793 1/20 0.42

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
Acetic Acid SCHEMBL29291763 0.92 MAPT (0.51) MAPTKMT2AALDH1A1TDP1L3MBTL1
SCHEMBL4217307 0.87 MAPT (0.52) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL4207600 0.87 MAPT (0.52) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL4210174 0.87 MAPT (0.52) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL4212205 0.87 MAPT (0.52) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL4208831 0.87 MAPT (0.52) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL4204821 0.87 MAPT (0.52) MAPTKMT2AALDH1A1KDM4EHPGD
Butane SCHEMBL14935067 0.86 POLB (0.54) MAPTKMT2AALDH1A1TDP1L3MBTL1
SCHEMBL22435386 0.85 MEN1 (0.53) MAPTKMT2AALDH1A1TDP1L3MBTL1
SCHEMBL28124128 0.85 MAPT (0.52) MAPTKMT2AALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285849-A Compound for targeted degradation of ALK, c-Met and ROS1 proteins and preparation method thereof 上海青东生物科技有限公司 2020-06-16 CN disclosed
CN-104945309-B New nitroso compound and application thereof as nitroxyl donors 卡尔迪奥克斯尔制药公司 2019-06-04 CN disclosed
CN-102076342-B Novel nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS INC 2015-06-10 CN disclosed
CN-102076342-A Novel nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS INC 2011-05-25 CN disclosed
EP-1233968-A2 TRANSITION METAL-CYCLOPENTADIENYL-TROPANE CONJUGATES YALE UNIVERSITY (US) 2002-08-28 EP disclosed
US-20020111486-A1 Transition metal-cyclopentadienyl-tropane conjugates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-08-15 US disclosed
WO-2001040239-A2 TRANSITION METAL-CYCLOPENTADIENYL-TROPANE CONJUGATES YALE UNIVERSITY (US) 2001-06-07 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-20020111486-A1 Transition metal-cyclopentadienyl-tropane conjugates SLC6A3, SLC18A2, SLC6A2 MAPT 361/4885KMT2A 1943/4885ALDH1A1 231/4885

“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.