SCHEMBL1967792

SCHEMBL1967792

O=C(O)CCCn1ccc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.68
CCND1 P24385 4/20 0.68
KMT2A Q03164 1/20 0.65
LMNA P02545 1/20 0.64
TERT O14746 2/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
MAPK1 P28482 1/20 0.55
FABP4 P15090 1/20 0.54
FABP5 Q01469 1/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMO O15229 1/20 0.51

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
SCHEMBL29560163 1.00 CDK4 (0.68) CDK4CCND1KMT2ALMNATERT
SCHEMBL1269116 0.95 CDK4 (0.71) CDK4CCND1KMT2ALMNATERT
SCHEMBL30582936 0.94 CDK4 (0.72) CDK4CCND1KMT2ALMNATERT
SCHEMBL19783673 0.94 CDK4 (0.72) CDK4CCND1KMT2ALMNATERT
SCHEMBL526317 0.90 LMNA (0.73) CDK4CCND1KMT2ALMNATERT
SCHEMBL29684637 0.90 LMNA (0.73) CDK4CCND1KMT2ALMNATERT
SCHEMBL22610155 0.81 CDK4 (0.60) CDK4CCND1KMT2ALMNAMAPK1
SCHEMBL5051883 0.81 LMNA (0.61) CDK4CCND1KMT2ALMNADRD2
SCHEMBL31370177 0.80 MAPK1 (0.62) CDK4CCND1KMT2ALMNAMAPK1
SCHEMBL27587769 0.80 ALOX5 (0.50) CDK4CCND1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369500-B Separation method of 3-indolebutyric acid and 1-indolebutyric acid 浙江大鹏药业股份有限公司 2020-04-24 CN claimed
CN-109369500-A A kind of separation method of 3- indolebutyric acid and 1- indolebutyric acid 台州市大鹏药业有限公司 2019-02-22 CN claimed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP claimed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO claimed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP claimed
CN-117958143-A Preparation and application of culture medium for improving rooting property of trichosanthes kirilowii Maxim tissue culture seedlings 安徽中医药大学 2024-05-03 CN disclosed
CN-114208516-B Root section propagation method of arrow 四川省内江市农业科学院 2023-07-14 CN disclosed
US-20200345858-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF ERGOT ALKALOID TOXICITY LINDA LIGHT 2020-11-05 US disclosed
EP-3700523-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF ERGOT ALKALOID TOXICITY Light, Linda (US) 2020-09-02 EP disclosed
CN-109369500-B Separation method of 3-indolebutyric acid and 1-indolebutyric acid 浙江大鹏药业股份有限公司 2020-04-24 CN disclosed
CN-109369500-B Separation method of 3-indolebutyric acid and 1-indolebutyric acid 浙江大鹏药业股份有限公司 2020-04-24 CN disclosed
CN-109369500-B Separation method of 3-indolebutyric acid and 1-indolebutyric acid 浙江大鹏药业股份有限公司 2020-04-24 CN disclosed
CN-109369500-A A kind of separation method of 3- indolebutyric acid and 1- indolebutyric acid 台州市大鹏药业有限公司 2019-02-22 CN disclosed
CN-109369500-A A kind of separation method of 3- indolebutyric acid and 1- indolebutyric acid 台州市大鹏药业有限公司 2019-02-22 CN disclosed
CN-109369500-A A kind of separation method of 3- indolebutyric acid and 1- indolebutyric acid 台州市大鹏药业有限公司 2019-02-22 CN disclosed
EP-2997028-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2016-03-23 EP disclosed
WO-2014184163-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-11-20 WO disclosed
EP-0598750-A1 INDOLES Pfizer Limited (GB) 1994-06-01 EP disclosed
US-4273782-A FOR USE IN CARDIOVASCULAR DISORDERS AND COMPLICATIONS OF DIABETES PFIZER INC. (US) 1981-06-16 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-20200345858-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF ERGOT ALKALOID TOXICITY FH, CRH, HYPK CDK4 4470/4885CCND1 3906/4885KMT2A 2194/4885

“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.