SCHEMBL348477

SCHEMBL348477

CC(C)(N)CCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
TSHR P16473 5/20 0.50
NFKB1 P19838 2/20 0.50
PMP22 Q01453 1/20 0.50
AKR1B1 P15121 1/20 0.48
CYP2D6 P10635 1/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
PTPN1 P18031 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
FABP4 P15090 2/20 0.46
ALOX15 P16050 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46

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
Sebacic Acid SCHEMBL10542742 0.98 TSHR (0.55) LMNATSHRNFKB1PMP22GPR84
SCHEMBL2227903 0.93 LMNA (0.48) LMNATSHRNFKB1PMP22AKR1B1
Hydrochloric Acid SCHEMBL27951470 0.91 BLM (0.46) LMNATSHRNFKB1PMP22AKR1B1
Heptanoate SCHEMBL3412856 0.90 GPR84 (0.65) LMNATSHRAKR1B1GPR84PPARG
Octanoic Acid SCHEMBL3416660 0.90 GPR84 (0.65) LMNATSHRAKR1B1GPR84PPARG
Valeric Acid SCHEMBL3410666 0.87 AKR1B1 (0.58) LMNATSHRAKR1B1CYP2D6GPR84
Valeric Acid SCHEMBL7547365 0.86 GPR84 (0.59) LMNATSHRAKR1B1CYP2D6GPR84
Valeric Acid SCHEMBL3416634 0.86 GPR84 (0.59) LMNATSHRAKR1B1CYP2D6GPR84
Stearic Acid SCHEMBL28628353 0.86 GPR84 (0.65) LMNATSHRAKR1B1GPR84PPARG
Adipic Acid SCHEMBL11074254 0.85 LMNA (0.65) LMNATSHRNFKB1PMP22AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed
EP-0057444-B1 DICHLOROAMINO ACID DERIVATIVES USEFUL AS POTENT GERMICIDAL AND FUNGICIDAL AGENTS MERCK & CO. INC. (US) 1986-05-07 EP disclosed
US-4386103-A ENVIRONMENT, FOOD TREATMENT, PERSONAL OR VETERINARY HYGIENE MERCK & CO., INC. (US) 1983-05-31 US disclosed
EP-0057444-A2 Dichloroamino acid derivatives useful as potent germicidal and fungicidal agents MERCK & CO. INC. (US) 1982-08-11 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 (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-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 LMNA 1909/4885TSHR 3208/4885NFKB1 1041/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 LMNA 2785/4885TSHR 2972/4885NFKB1 908/4885

“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.