SCHEMBL7046010

SCHEMBL7046010

C[C](c1ccccc1)c1c(C)c(C)c(C)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 4/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ESR1 P03372 1/20 0.37
ALOX12 P18054 1/20 0.36
ACHE P22303 1/20 0.36
HTT P42858 2/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
GRM6 O15303 1/20 0.35

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
SCHEMBL2723991 0.80 TSHR (0.41) CES2CES1ALDH1A1LMNAMAPT
SCHEMBL38015 0.80 CES1 (0.52) CES2CES1ALDH1A1LMNAMAPT
SCHEMBL21811153 0.77 CES2 (0.50) CES2CES1ALDH1A1LMNAMAPT
SCHEMBL5169856 0.77 ALDH1A1 (0.62) CES2CES1ALDH1A1LMNAMAPT
SCHEMBL2722492 0.77 KMT2A (0.39) CES2CES1LMNAMAPTTSHR
SCHEMBL20659169 0.73 ALDH1A1 (0.43) CES2CES1ALDH1A1LMNAMAPT
SCHEMBL2722548 0.72 FABP3 (0.41) ALDH1A1LMNAMAPTHTTL3MBTL1
SCHEMBL2724491 0.70 LMNA (0.49) LMNATSHRHTTKMT2ACYP3A4
SCHEMBL3461999 0.70 NPC1 (0.44) ALDH1A1TSHRACHEHTTNPC1
SCHEMBL22708495 0.69 MEN1 (0.41) CES2CES1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176448-A1 Mitochondria protecting agents for treating mitochondria associated diseases MITOKOR (US) 2003-09-18 US disclosed
US-6511966-B2 Administering for therapy of mitochondria medited disease MITOKOR 2003-01-28 US disclosed
US-6498191-B2 FOR TREATMENT OF ALZHEIMER'S DISEASE, DIABETES MELLITUS, PARKINSON'S DISEASE, NEURONAL AND CARDIAC ISCHEMIA, HUNTINGTON'S DISEASE, STROKE MITOKOR 2002-12-24 US disclosed
EP-1222920-A2 Mitochondria protecting agents for treating mitochondria associated diseases MITOKOR (US) 2002-07-17 EP disclosed
US-20020068750-A1 Mitochondria protecting agents for treating mitochondria associated diseases GHOSH SOUMITRA S (US) 2002-06-06 US disclosed
US-20020065298-A1 Mitochondria protecting agents for treating mitochondria associated diseases GHOSH SOUMITRA S (US) 2002-05-30 US disclosed
US-20020065299-A1 Mitochondria protecting agents for treating mitochondria associated diseases GHOSH SOUMITRA S (US) 2002-05-30 US disclosed
US-20020010195-A1 Mitochondria protecting agents for treating mitochondria associated diseases GHOSH SOUMITRA S (US) 2002-01-24 US disclosed
EP-1051165-A2 MITOCHONDRIA PROTECTING AGENTS FOR TREATING MITOCHONDRIA ASSOCIATED DISEASES Mitokor (US) 2000-11-15 EP disclosed
WO-1999037294-A2 MITOCHONDRIA PROTECTING AGENTS FOR TREATING MITOCHONDRIA ASSOCIATED DISEASES MITOKOR (US) 1999-07-29 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 (5 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-20020065298-A1 Mitochondria protecting agents for treating mitochondria associated diseases TFAM, HSPA9, HSPD1 CES2 3323/4885CES1 2548/4885ALDH1A1 945/4885
US-20030176448-A1 Mitochondria protecting agents for treating mitochondria associated diseases TFAM, HSPA9, HSPD1 CES2 3285/4885CES1 2536/4885ALDH1A1 936/4885
US-20020068750-A1 Mitochondria protecting agents for treating mitochondria associated diseases TFAM, HSPA9, HSPD1 CES2 3293/4885CES1 2550/4885ALDH1A1 931/4885
US-20020010195-A1 Mitochondria protecting agents for treating mitochondria associated diseases TFAM, HSPA9, HSPD1 CES2 3323/4885CES1 2548/4885ALDH1A1 945/4885
US-20020065299-A1 Mitochondria protecting agents for treating mitochondria associated diseases TFAM, HSPA9, HSPD1 CES2 3299/4885CES1 2587/4885ALDH1A1 942/4885

“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.