SCHEMBL4336790

SCHEMBL4336790

CC(C)(C)c1ccc([I+](OS(=O)(=O)c2ccc(C#N)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
DRD1 P21728 1/20 0.41
DRD3 P35462 1/20 0.41
CCR2 P41597 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL51291 0.82 TSHR (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL503481 0.81 ALDH1A1 (0.42) KIF11ALDH1A1MAPTMEN1KMT2A
SCHEMBL5699281 0.81 UQCRB (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL2961941 0.81 HSD11B1 (0.44) ALDH1A1MAPTHPGDTDP1MEN1
SCHEMBL452775 0.81 HSD11B1 (0.47) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL5699308 0.80 HSD11B1 (0.47) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL5398592 0.78 HSD11B1 (0.47) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL3757628 0.77 HSD11B1 (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL3753880 0.77 ENPP3 (0.44) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL7739948 0.76 HSD11B1 (0.43) ALDH1A1MAPTTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181319-A1 AROMATIC FLUORINE-FREE PHOTOACID GENERATORS AND PHOTORESIST COMPOSITIONS CONTAINING THE SAME INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-07-16 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-20090181319-A1 AROMATIC FLUORINE-FREE PHOTOACID GENERATORS AND PHOTORESIST COMPOSITIONS CONTAINING THE SAME PFAS, AFF1, AFF2 KIF11 1681/4885ALDH1A1 3056/4885MAPT 1966/4885

“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.