SCHEMBL6003047

SCHEMBL6003047

[CH2]c1c(CC)cc(CC)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
BACE1 P56817 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
TP53 P04637 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL9243180 0.78 KMT2A (0.34) HSPA5GAAKMT2AGRIN2DGRIN3B
Formaldehyde SCHEMBL27639175 0.76 RXRA (0.43) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL18244029 0.74 HSPA5 (0.39) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL1760666 0.74 DHFR (0.44) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL2228767 0.74 HSPA5 (0.39) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL18378504 0.74 HSPA5 (0.35) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL720756 0.74 TRPA1 (0.44) BACE1TP53TRPA1ALDH1A1NPC1
SCHEMBL1264399 0.74 MEN1 (0.46) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL23838393 0.72 HSPA5 (0.38) HSPA5MEN1GAAKMT2APTGS2
SCHEMBL11057397 0.72 HSPA5 (0.38) HSPA5MEN1GAAKMT2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
CN-1022835-C Process for preparing 2 alpha-methyl-2 beta-(1,2,3-triazole-1-yl) methylpenam-3 alpha-carboxylic acid derivatives TAIHO PHARMACEUTICAL CO LTD (JP) 1993-11-24 CN disclosed
EP-0331395-B1 PROCESS FOR PREPARING 2-ALPHA-METHYL-2-BETA-(1,2,3-TRIAZOL-1-YL)METHYL-PENAM-3-ALPHA-CARBOXYLIC ACID DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-11-11 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-4895941-A Process for preparing 2α-methyl-2β-(1,2,3-triazol-1-yl)methylpenam-3α-carboxylic acid derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 US disclosed
CN-1037514-A The method for preparing 2 alpha-methyl-2 betas-(1,2,3-triazoles-1-yl) methyl penicillanate-3 α-carboxylic acid derivative TAIHO PHARMACEUTICAL CO LTD (JP) 1989-11-29 CN disclosed
EP-0331395-A1 Process for preparing 2-alpha-methyl-2-beta-(1,2,3-triazol-1-yl)methyl-penam-3-alpha-carboxylic acid derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1989-09-06 EP disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
US-RE32489-E Herbicidal substituted 2-(1-(oxyamino)-alkylidene)-cyclohexane-1,3-diones CHEVRON RESEARCH COMPANY (US) 1987-09-01 US disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
US-4440566-A Herbicidal substituted 2-(1-(oxyamino)-alkylidene)-cyclohexane-1,3-diones CHEVRON RESEARCH COMPANY (US) 1984-04-03 US disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 HSPA5 453/4885MEN1 4766/4885GAA 2093/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 HSPA5 453/4885MEN1 4766/4885GAA 2093/4885

“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.