SCHEMBL1151720

SCHEMBL1151720

CC(C)(C)C1CCC(C2=C(O)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.56
MAPT P10636 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TP53 P04637 3/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
GLA P06280 1/20 0.39
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37

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
SCHEMBL917366 1.00 CDC25B (0.56) CDC25BMAPTMEN1KMT2ATP53
SCHEMBL1542903 1.00 CDC25B (0.56) CDC25BMAPTMEN1KMT2ATP53
SCHEMBL9857337 0.90 CDC25B (0.47) CDC25BMAPTMEN1KMT2ATP53
SCHEMBL1152737 0.86 MAPT (0.44) CDC25BMAPTMEN1KMT2ATP53
SCHEMBL8444855 0.86 CDC25B (0.45) CDC25BMAPTMEN1KMT2ATP53
SCHEMBL1152792 0.85 MAPT (0.48) CDC25BMAPTMEN1KMT2ATP53
SCHEMBL9856788 0.83 CDC25B (0.45) CDC25BMAPTMEN1KMT2ATP53
SCHEMBL8136452 0.83 MAPT (0.51) CDC25BMAPTMEN1KMT2ATP53
Buparvaquone SCHEMBL8200585 0.82 CDC25B (0.66) CDC25BMAPTMEN1KMT2ATP53
SCHEMBL9856931 0.82 CDC25B (0.46) CDC25BMAPTMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043286-A COMBATTING WHITE FLY OR LEPIDOPTERA PESTS BTG INTERNATIONAL LIMITED (GB) 2000-03-28 US claimed
US-5310762-A Medicaments BURROUGHS WELLCOME CO. (US) 1994-05-10 US claimed
EP-0362996-B1 Naphthoquinones for the treatment and prophylaxis of pneumocystis carinii infections WELLCOME FOUND (GB) 1994-04-27 EP claimed
EP-0362996-A2 Naphthoquinones for the treatment and prophylaxis of pneumocystis carinii infections THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-11 EP claimed
US-4485117-A ANTIMALARIAL AND ANTICOCCIDIAL; HYDROXYNAPHTHOQUINONES BURROUGHS WELLCOME CO., A CORP OF NORTH CAROLINA 1984-11-27 US claimed
JP-2091037-A None JP disclosed
JP-5097765-A None JP disclosed
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
WO-2012153162-A1 NOVEL METHOD FOR PREPARATION OF ATOVAQUONE LUPIN LIMITED (IN) 2012-11-15 WO disclosed
WO-2012153162-A1 NOVEL METHOD FOR PREPARATION OF ATOVAQUONE LUPIN LIMITED (IN) 2012-11-15 WO disclosed
EP-2354987-A2 METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR Bioinformatics&Molecular Design Research Center (KR) 2011-08-10 EP disclosed
EP-0362996-A2 Naphthoquinones for the treatment and prophylaxis of pneumocystis carinii infections THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-11 EP disclosed
JP-H0291037-A THERAPEUTIC AGENT WELLCOME FOUND LTD:THE 1990-03-30 JP disclosed
EP-0077551-B1 1.4-NAPHTHOQUINONES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL AND VETERINARY FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1985-06-12 EP disclosed
US-4485117-A ANTIMALARIAL AND ANTICOCCIDIAL; HYDROXYNAPHTHOQUINONES BURROUGHS WELLCOME CO., A CORP OF NORTH CAROLINA 1984-11-27 US disclosed
US-4485117-A ANTIMALARIAL AND ANTICOCCIDIAL; HYDROXYNAPHTHOQUINONES BURROUGHS WELLCOME CO., A CORP OF NORTH CAROLINA 1984-11-27 US disclosed
EP-0123239-A2 Improvements in or relating to antiprotozoal agents THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP disclosed
EP-0077551-A2 1.4-Naphthoquinones, methods for their preparation, pharmaceutical and veterinary formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-27 EP disclosed
EP-0077551-A2 1.4-Naphthoquinones, methods for their preparation, pharmaceutical and veterinary formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-27 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 (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-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CDC25B 4385/4885MAPT 1583/4885MEN1 3612/4885

“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.