SCHEMBL3278080

SCHEMBL3278080

Cc1[c]cc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
ELANE P08246 2/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC1 Q13547 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL2680684 0.77 MAPT (0.41) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL1869090 0.77 ALDH1A1 (0.50) CA2ALDH1A1CES2CES1SMN1; SMN2
SCHEMBL11145825 0.75 PARP10 (0.42) CA2ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL4774336 0.75 ALDH1A1 (0.34) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL10031827 0.75 PGR (0.47) PGRARELANECA2ALDH1A1
SCHEMBL1459630 0.72 TDP1 (0.55) CA2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1701967 0.72 CA2 (0.57) CA2ALDH1A1LMNACES2CES1
SCHEMBL2233870 0.69 CA1 (0.56) CA2ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL5058744 0.69 PGR (0.43) PGRARELANECA2ALDH1A1
SCHEMBL10483771 0.69 ELANE (0.54) PGRARELANEALDH1A1LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060035944-A1 Remedies for neurodegenerative diseases INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-02-16 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP 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 (12 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 PGR 2773/4885AR 2064/4885ELANE 1784/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA PGR 4464/4885AR 4190/4885ELANE 193/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 PGR 2793/4885AR 934/4885ELANE 127/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 PGR 272/4885AR 79/4885ELANE 19/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 PGR 543/4885AR 165/4885ELANE 414/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT PGR 341/4885AR 114/4885ELANE 17/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA PGR 998/4885AR 1316/4885ELANE 943/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 PGR 4080/4885AR 662/4885ELANE 340/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR PGR 327/4885AR 86/4885ELANE 22/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR PGR 301/4885AR 78/4885ELANE 19/4885
US-20060035944-A1 Remedies for neurodegenerative diseases GLA, CHAT, MAPT PGR 1250/4885AR 1322/4885ELANE 1176/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA PGR 844/4885AR 254/4885ELANE 70/4885

“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.