SCHEMBL5871572

SCHEMBL5871572

[CH2]c1cc(OCC)c(OCC)c(OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
GLA P06280 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
TUBB1 Q9H4B7 2/20 0.40

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
SCHEMBL5237998 0.86 HTR2A (0.56) TSHRGAASMN1; SMN2MEN1KMT2A
SCHEMBL5241628 0.83 PTGS2 (0.50) GAAHSD17B10MEN1KMT2AHTR2A
SCHEMBL5238133 0.78 TSHR (0.59) TSHRGAASMN1; SMN2HSD17B10LMNA
SCHEMBL10196371 0.78 TSHR (0.53) TSHRGAASMN1; SMN2HSD17B10LMNA
SCHEMBL6775456 0.77 TSHR (0.48) TSHRGAASMN1; SMN2HSD17B10LMNA
SCHEMBL6001524 0.77 LTA4H (0.43) TSHRGAASMN1; SMN2HSD17B10LMNA
SCHEMBL9541800 0.76 TSHR (0.57) TSHRGAASMN1; SMN2HSD17B10LMNA
SCHEMBL5234818 0.76 TSHR (0.52) TSHRGAASMN1; SMN2HSD17B10LMNA
SCHEMBL5254326 0.76 CYP1A2 (0.41) TSHRSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11526354 0.76 TUBB1 (0.47) TSHRGAASMN1; SMN2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922759-A Butenolide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1999-07-13 US claimed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 US claimed
WO-1997002265-A1 BUTENOLIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-01-23 WO claimed
CN-1266151-C Naphthyridine derivatives OTSUKA PHARMA CO LTD (JP) 2006-07-26 CN disclosed
US-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
CN-1547581-A Naphthyridine derivatives 株式会社大V制药工场 2004-11-17 CN disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
US-6017951-A TREATING RENAL FAILURE, HYPERTENSION, MYOCARDIAL INFARCTION AND MYOCARDIAL ISCHEMIA, CEREBRAL VASOSPASM, CIRRHOSIS, SEPTIC SHOCK, CONGESTIVE HEART FAILURE, ENDOTOXIC SHOCK, SUBARACHNOID HEMORRHAGE, ARRHYTHMIAS, ASTHMA, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed
US-5922759-A Butenolide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1999-07-13 US disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
WO-1997002265-A1 BUTENOLIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-01-23 WO disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO 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-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 TSHR 2365/4885GAA 1753/4885SMN1; SMN2 161/4885

“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.