SCHEMBL1541964

SCHEMBL1541964

COc1cc(F)c(C=O)cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MCL1 Q07820 1/20 0.44
PRKDC P78527 2/20 0.43
ERN1 O75460 9/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
KDM1A O60341 1/20 0.36

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
SCHEMBL15010882 0.93 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1MCL1
SCHEMBL436131 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL71268 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29636410 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL2816217 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1MCL1
SCHEMBL28984397 0.79 PRKDC (0.48) ALDH1A1KDM4ETSHRTDP1MCL1
SCHEMBL31291730 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL2816956 0.79 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1MCL1
SCHEMBL2915368 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29950688 0.78 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
EP-2308880-A1 TETRACYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-04-13 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-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN ALDH1A1 3255/4885KDM4E 3166/4885TSHR 175/4885

“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.