SCHEMBL663587

SCHEMBL663587

CC(C)(C)C1CC1(Cc1cc(Br)ccc1Cl)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
PTPRC P08575 1/20 0.32
PTPRG P23470 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SORT1 Q99523 1/20 0.31

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
SCHEMBL664894 0.76 P2RX7 (0.36) HPGDALDH1A1MAPTCYP1A2KMT2A
SCHEMBL663585 0.68 ALDH1A1 (0.37) HPGDALDH1A1MAPTCYP1A2KMT2A
SCHEMBL14685998 0.66 HTT (0.45) HPGDALDH1A1MAPTCYP1A2KMT2A
SCHEMBL2516419 0.65 ALDH1A1 (0.43) HPGDALDH1A1MAPTCYP1A2KMT2A
SCHEMBL663588 0.64 ALDH1A1 (0.38) HPGDALDH1A1MAPTCYP1A2KMT2A
SCHEMBL154416 0.64 PTGDR2 (0.44) HPGDALDH1A1LMNAPTPRCPTPRG
SCHEMBL664893 0.64 MEN1 (0.41) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL1759203 0.63 NPC1 (0.47) HPGDALDH1A1MAPTCYP1A2KMT2A
SCHEMBL29426994 0.62 GABRA1 (0.44) HPGDALDH1A1CYP1A2LMNAHTT
SCHEMBL43286 0.62 GABRA1 (0.44) HPGDALDH1A1CYP1A2LMNAHTT

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 HPGD 559/4885ALDH1A1 2104/4885MAPT 3436/4885

“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.