SCHEMBL1004924

SCHEMBL1004924

CCCCc1ccc([O])c(CCCC)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.42
TYR P14679 3/20 0.41
HTT P42858 3/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TYMP P19971 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL7298718 0.94 TYR (0.44) CTRCTYRHTTMAPTMEN1
SCHEMBL2340904 0.92 TYR (0.47) TYRHTTMAPTMEN1TP53
SCHEMBL30044969 0.87 TYR (0.50) CTRCTYRHTTHPGDNPC1
SCHEMBL4633219 0.87 TYR (0.50) CTRCTYRHTTHPGDNPC1
SCHEMBL1007884 0.83 PRKCI (0.36) HPGDRAB9ATYMPKDM4EALDH1A1
SCHEMBL1005447 0.82 BID (0.40) CTRCALOX5LIPG
SCHEMBL7304182 0.81 CTRC (0.43) CTRCTYRHTTHPGDNPC1
SCHEMBL31230428 0.80 TYR (0.53) CTRCTYRHTTMAPTMEN1
SCHEMBL1133572 0.80 TYR (0.53) CTRCTYRHTTMAPTMEN1
SCHEMBL5505505 0.79 HTT (0.39) CTRCTYRHTTHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023199360-A1 FLUXAMETAMIDE COMPOSITION AND PROCESS OF PREPARATION THEREOF RAJDHANI PETROCHEMICALS PRIVATE LIMITED (IN) 2023-10-19 WO claimed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN claimed
CN-102027066-B Polyphenylene ether resin composition having narrow molecular weight distribution ASAHI CHEMICAL CORP (JP) 2013-10-30 CN claimed
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
CN-112979917-B Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer 旭化成株式会社 2023-04-25 CN disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-87100994-A 1H-Imidazole-5-carboxylic acid derivatives 1987-09-09 CN disclosed
CN-86108021-A Microbicide 1987-09-09 CN disclosed
CN-86108283-A Microbicide 1987-08-12 CN disclosed
CN-86106647-A Benzoylphenylurea 1987-07-01 CN disclosed
CN-86104173-A The preparation method of novel 5-imidazolyl carboxylic acid derivative and their use 1987-01-28 CN disclosed
CN-85103947-A Weed killer herbicide 1986-11-19 CN disclosed
CN-85103987-A Microbicide 1986-09-17 CN disclosed
CN-85108207-A Has the novel bacterial that improves active bacillus thuringiensis preparation method and generation aspect the control lepidopterous insect pest 1986-09-17 CN disclosed
CN-85108238-A Preparation method of phenylhydantoin 1986-04-10 CN 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B CTRC 3331/4885TYR 1558/4885HTT 1605/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CTRC 3229/4885TYR 1369/4885HTT 1282/4885

“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.