SCHEMBL3860909

SCHEMBL3860909

CCC(C)C(O)(C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KIF11 P52732 4/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL27839176 0.78 LDHA (0.45) LDHAALDH1A1LMNAALOX15APEX1
SCHEMBL7430015 0.76 ACACB (0.46) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL22278814 0.74 CA12 (0.44) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL29226421 0.73 ALDH1A1 (0.46) LDHAALDH1A1LMNAALOX15APEX1
SCHEMBL8937536 0.73 LDHA (0.47) LDHAALDH1A1LMNAALOX15APEX1
SCHEMBL29226417 0.73 ALDH1A1 (0.46) LDHAALDH1A1LMNAALOX15APEX1
SCHEMBL10794450 0.73 LDHA (0.47) LDHAALDH1A1LMNAALOX15APEX1
SCHEMBL18902445 0.72 KIF11 (0.47) ALDH1A1LMNAKIF11KMT2A
SCHEMBL2795435 0.72 CYP2C9 (0.55) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL5144776 0.72 CA1 (0.52) LDHAALDH1A1LMNAALOX15APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435962-A4 TREATMENT OF TYPE I DIABETES CELL PATHWAYS INC (US) 2009-04-15 EP disclosed
EP-1435940-A4 TREATMENT OF SCLERODERMA CELL PATHWAYS INC (US) 2005-04-20 EP disclosed
EP-1435961-A4 TREATMENT FOR LUPUS ERYTHEMATOSUS CELL PATHWAYS INC (US) 2005-04-20 EP disclosed
EP-1435962-A2 TREATMENT OF TYPE I DIABETES Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435940-A1 TREATMENT OF SCLERODERMA Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435782-A1 TREATMENT FOR CYSTIC FIBROSIS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435961-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
US-20030176316-A1 Methods for treatment of rheumatoid arthritis OSI PHARMACEUTICALS, INC. 2003-09-18 US disclosed
WO-2003017999-A1 TREATMENT OF SCLERODERMA CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2003017765-A1 TREATMENT FOR CYSTIC FIBROSIS CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2003017926-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2003017925-A2 TREATMENT OF TYPE I DIABETES CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2002067936-A1 METHODS FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE CELL PATHWAYS, INC. (US) 2002-09-06 WO disclosed
EP-1044187-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA OSI Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
WO-1999031065-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA CELL PATHWAYS, INC. (US) 1999-06-24 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 (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-20030176316-A1 Methods for treatment of rheumatoid arthritis SSB, AADAC, NFKBIA LDHA 1626/4885ALDH1A1 191/4885LMNA 1336/4885

“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.