SCHEMBL4848419

SCHEMBL4848419

CCCCCSC1=CC(=O)C(=O)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 13/20 0.78
S100A4 P26447 4/20 0.70
P4HB P07237 1/20 0.59
PTPN1 P18031 1/20 0.55
APAF1 O14727 1/20 0.55
ALDH1A1 P00352 1/20 0.55
G6PD P11413 1/20 0.55
CDC25B P30305 2/20 0.46
MAP2K7 O14733 1/20 0.46
CDC25A P30304 1/20 0.46
PTPRC P08575 1/20 0.44

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
SCHEMBL15732841 0.88 SOAT1 (1.00) SOAT1S100A4P4HBG6PDCDC25B
SCHEMBL15732931 0.86 SOAT1 (1.00) SOAT1S100A4P4HBPTPN1G6PD
SCHEMBL15732808 0.86 SOAT1 (1.00) SOAT1S100A4P4HBPTPN1G6PD
SCHEMBL15732972 0.86 SOAT1 (1.00) SOAT1S100A4P4HBPTPN1G6PD
SCHEMBL15732984 0.86 SOAT1 (1.00) SOAT1S100A4P4HBPTPN1G6PD
SCHEMBL358334 0.86 SOAT1 (1.00) SOAT1S100A4P4HBPTPN1G6PD
SCHEMBL2599427 0.83 SOAT1 (1.00) SOAT1S100A4P4HBAPAF1ALDH1A1
SCHEMBL17445487 0.79 SOAT1 (0.51) SOAT1S100A4P4HBPTPN1APAF1
SCHEMBL4629512 0.79 S100A4 (0.76) SOAT1S100A4PTPN1APAF1ALDH1A1
SCHEMBL7106792 0.76 SOAT1 (1.00) SOAT1S100A4P4HBCDC25BMAP2K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888326-B1 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RES FOUND (US) 2006-08-16 EP claimed
JP-2000506841-A 2000-06-06 JP claimed
US-5977187-A 4-substituted-1,2-naphthoquinones and their use in the inhibition of neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-11-02 US claimed
EP-0888326-A2 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-01-07 EP claimed
WO-1997031936-A2 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1997-09-04 WO claimed
WO-2008066300-A1 NAPHTHOQUINONE-BASED PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES MAZENCE INC. (KR) 2008-06-05 WO disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
EP-0888326-B1 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RES FOUND (US) 2006-08-16 EP disclosed
US-20050010060-A1 Novel quinones as disease therapies SLIL BIOMEDICAL CORPORATION (US) 2005-01-13 US disclosed
US-5977187-A 4-substituted-1,2-naphthoquinones and their use in the inhibition of neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-11-02 US disclosed
US-5883270-A 4-substituted-1, 2-naphthoquinones and their use in the inhibition of neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-03-16 US disclosed
EP-0888326-A2 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-01-07 EP disclosed
EP-0886524-A2 DELIVERY OF THERAPEUTIC AGENTS TO THE PROSTATE CHIRON CORPORATION (US) 1998-12-30 EP disclosed
WO-1997031611-A2 TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1997-09-04 WO disclosed
WO-1997031936-A2 NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1997-09-04 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-20050010060-A1 Novel quinones as disease therapies NQO1, NDUFV2, SDHB SOAT1 1552/4885S100A4 3300/4885P4HB 1327/4885

“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.