SCHEMBL4006970

SCHEMBL4006970

COc1cccc(OC)c1-c1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
DUSP3 P51452 1/20 0.42
HTR7 P34969 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NR3C1 P04150 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL1768406 0.95 TOP1 (0.41) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5195630 0.88 APP (0.44) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6565552 0.87 CA1 (0.44) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29407955 0.87 CA1 (0.44) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL301296 0.87 CA1 (0.44) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29430119 0.87 CA1 (0.44) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1768301 0.86 CA1 (0.43) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6395598 0.86 APP (0.44) ALDH1A1TDP1KDM4EHTR7CA1
SCHEMBL21331776 0.84 TOP1 (0.43) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL13991581 0.84 FGFR1 (0.40) TOP1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531695-B2 Therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICAL, INC (US) 2009-05-12 US claimed
US-20070129392-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. 2007-06-07 US claimed
US-20070078189-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS (US) 2007-04-05 US claimed
EP-1636160-A4 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2006-09-27 EP claimed
EP-1636160-A2 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS Auspex Pharmaceuticals (US) 2006-03-22 EP claimed
WO-2005108338-A1 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-11-17 WO claimed
WO-2005000233-A2 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-01-06 WO claimed
US-7531695-B2 Therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICAL, INC (US) 2009-05-12 US disclosed
US-7468462-B2 Therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS (US) 2008-12-23 US disclosed
US-20070129392-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070078189-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS (US) 2007-04-05 US disclosed
EP-1636160-A4 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2006-09-27 EP disclosed
EP-1636160-A2 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS Auspex Pharmaceuticals (US) 2006-03-22 EP disclosed
WO-2005000233-A2 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-01-06 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 (2 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-20070078189-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders GPR119, IGF1R, CCNE2 TOP1 4077/4885ALDH1A1 463/4885MEN1 1869/4885
US-20070129392-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders IGF1R, INSR, BRCA1 TOP1 4195/4885ALDH1A1 826/4885MEN1 1228/4885

“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.