SCHEMBL6831744

SCHEMBL6831744

CC(=O)CCCCCCCC(Cl)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 6/20 0.50
ALDH1A1 P00352 2/20 0.41
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.35
SLC15A2 Q16348 1/20 0.35
TSHR P16473 2/20 0.34
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES1 P23141 5/20 0.32
CES2 O00748 4/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
FAAH O00519 3/20 0.31

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
SCHEMBL10347895 1.00 PAOX (0.50) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL27849781 0.90 ALDH1A1 (0.45) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL459425 0.79
SCHEMBL12686704 0.79 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL2775487 0.79 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL11435600 0.79 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL16723870 0.79 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL8421741 0.79 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL21818217 0.79 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL3626142 0.79 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
CN-1349381-A Sulfonamide derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-15 CN disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 EP disclosed
US-5026862-A Process for the preparation of 1.R, cis cyclopropane di-carboxylic acid derivatives ROUSSEL UCLAF (FR) 1991-06-25 US disclosed
US-4873346-A BRONCHODILATORS, TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1989-10-10 US disclosed
US-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US disclosed
US-4195101-A 2',6'-Dihydroxy-9-(2,5-dihydroxyphenyl)octylphenone and its use as an anti-oxidant The Lion Dentifrice Co. Ltd. (JP) 1980-03-25 US disclosed
US-4190656-A VIRICIDES, ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-26 US 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-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 PAOX 2174/4885ALDH1A1 453/4885ACHE 4303/4885

“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.