SCHEMBL4798754

SCHEMBL4798754

CCN(C)c1cc(C#N)ccc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
RAD51 Q06609 1/20 0.36
APP P05067 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PGR P06401 2/20 0.34
CYP2A6 P11509 1/20 0.34
SLC6A4 P31645 4/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL25343452 0.83 RAD51 (0.39) ALDH1A1KDM4EGAAMAPTRAD51
SCHEMBL7401136 0.81 SNCA (0.41) ALDH1A1KDM4EMEN1GAAHPGD
SCHEMBL15776319 0.78 ALDH1A3 (0.45) ALDH1A1KDM4EMEN1USP2GAA
SCHEMBL29952696 0.75 CYP2A6 (0.44) ALDH1A1KDM4EMEN1USP2GAA
SCHEMBL1859259 0.75 CYP2A6 (0.44) ALDH1A1KDM4EMEN1USP2GAA
SCHEMBL11819313 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1USP2GAA
SCHEMBL15776655 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTRAD51
SCHEMBL20116442 0.73 TRPV4 (0.40) ALDH1A1TRPV4
SCHEMBL7280841 0.72 LMNA (0.48) ALDH1A1MEN1GAAHPGDKMT2A
SCHEMBL14497430 0.71 ALDH1A1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041904-B1 STYRYL SULFIDE DYES BASF SE (DE) 2020-05-20 EP disclosed
US-20160208103-A1 STYRYL SULFIDE DYES BASF SE (DE) 2016-07-21 US disclosed
EP-3041904-A1 STYRYL SULFIDE DYES BASF SE (DE) 2016-07-13 EP disclosed
WO-2015028543-A1 STYRYL SULFIDE DYES BASF SE (DE) 2015-03-05 WO disclosed
US-7390847-B2 Polymer derivatives for the treatment of metals BASF SE (DE) 2008-06-24 US disclosed
US-20050121114-A1 Polymer derivatives for the treatment of metals BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 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-20160208103-A1 STYRYL SULFIDE DYES C1R, C1S, C5 ALDH1A1 917/4885KDM4E 4103/4885MEN1 1173/4885

“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.