SCHEMBL2620734

SCHEMBL2620734

COc1cccc(OC)c1-c1ccccc1P(C(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.42
PDK2 Q15119 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
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
DUSP3 P51452 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR7 P34969 1/20 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
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
SCHEMBL18805855 0.91 PDK2 (0.38) TOP1PDK2ALDH1A1MEN1KMT2A
SCHEMBL1672627 0.86 APP (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29185539 0.82 TOP1 (0.44) TOP1PDK2ALDH1A1MEN1KMT2A
SCHEMBL29589374 0.81 CA1 (0.50) ALDH1A1MAPTKDM4ETDP1CA1
SCHEMBL2544530 0.81 CA1 (0.50) ALDH1A1MAPTKDM4ETDP1CA1
SCHEMBL19659902 0.80 TOP1 (0.46) TOP1PDK2ALDH1A1MEN1KMT2A
SCHEMBL29670206 0.80 CA1 (0.48) ALDH1A1MAPTKDM4ETDP1CA1
SCHEMBL29492107 0.77 ALDH1A1 (0.30) ALDH1A1RAB9A
SCHEMBL333685 0.77 ALDH1A1 (0.30) ALDH1A1RAB9A
SCHEMBL646868 0.77 MYC (0.42) PDK2ALDH1A1TDP1HTR7CA1

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 37 patents — showing the first 20. 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-11744152-B2 Benzimidazo[1,2-a]benzimidazole derivatives for electronic applications UDC IRELAND LIMITED (IE) 2023-08-29 US disclosed
US-20170331054-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES UDC IRELAND LTD (IE) 2017-11-16 US disclosed
US-9806270-B2 4H-imidazo[1,2-a]imidazoles for electronic applications UDC IRELAND LIMITED (IE) 2017-10-31 US disclosed
US-20170244051-A1 Benzimidazo[1,2-a]Benzimidazole Derivatives for Electronic Applications UDC IRELAND LTD (IE) 2017-08-24 US disclosed
US-20170237020-A1 Electroluminescent Imidazo-Quinoxaline Carbene Metal Complexes BASF SE (DE) 2017-08-17 US disclosed
US-9673408-B2 Luminescent diazabenzimidazole carbene metal complexes UDC IRELAND LIMITED (IE) 2017-06-06 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-2005108338-A1 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-11-17 WO 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 (6 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-20170331054-A1 LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES OCIAD1, OCIAD2, CACNA1D TOP1 4211/4885PDK2 736/4885ALDH1A1 1819/4885
US-20070078189-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders GPR119, IGF1R, CCNE2 TOP1 4077/4885PDK2 89/4885ALDH1A1 463/4885
US-11744152-B2 Benzimidazo[1,2-a]benzimidazole derivatives for electronic applications PAICS, EIF4A1, ECI1 TOP1 2116/4885PDK2 43/4885ALDH1A1 122/4885
US-20170237020-A1 Electroluminescent Imidazo-Quinoxaline Carbene Metal Complexes OCIAD1, OCIAD2, OXER1 TOP1 2709/4885PDK2 626/4885ALDH1A1 1713/4885
US-20070129392-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders IGF1R, INSR, BRCA1 TOP1 4195/4885PDK2 86/4885ALDH1A1 826/4885
US-20170244051-A1 Benzimidazo[1,2-a]Benzimidazole Derivatives for Electronic Applications PAICS, EIF4A1, ECI1 TOP1 2095/4885PDK2 33/4885ALDH1A1 106/4885

“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.