SCHEMBL5405865

SCHEMBL5405865

OCC=CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTR2A P28223 4/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TRPA1 O75762 7/20 0.38
CYP2C19 P33261 2/20 0.38
HRH1 P35367 3/20 0.38
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5405861 1.00 LMNA (0.41) LMNAHTR2ATAAR1TRPA1CYP2C19
SCHEMBL7238090 1.00 LMNA (0.41) LMNAHTR2ATAAR1TRPA1CYP2C19
SCHEMBL16297265 0.83 LMNA (0.48) LMNAKDM4EL3MBTL1
SCHEMBL3237308 0.83 LMNA (0.48) LMNAKDM4EL3MBTL1
SCHEMBL3237311 0.83 LMNA (0.48) LMNAKDM4EL3MBTL1
SCHEMBL7244292 0.77 HTR2A (0.41) LMNAHTR2ATAAR1CYP2C19HRH1
SCHEMBL8599440 0.77 LMNA (0.46) LMNAHTR2ATAAR1TRPA1HRH1
SCHEMBL7244288 0.77 HTR2A (0.41) LMNAHTR2ATAAR1CYP2C19HRH1
SCHEMBL7245503 0.77 HTR2A (0.41) LMNAHTR2ATAAR1CYP2C19HRH1
SCHEMBL8599444 0.77 LMNA (0.46) LMNAHTR2ATAAR1TRPA1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed
US-20030166590-A1 Microsomal triglyceride transfer protein WETTERAU JOHN R (US) 2003-09-04 US disclosed
US-6492365-B1 Microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY 2002-12-10 US disclosed
US-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191021-A1 DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 EP disclosed
US-6066650-A USEFUL FOR LOWERING SERUM LIPIDS AND TREATING ATHEROSCLEROSIS AND RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-23 US disclosed
US-6034098-A ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 US disclosed
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 US disclosed
US-5789197-A GENETIC ENGINEERING E. R. SQUIBB & SONS, INC. (US) 1998-08-04 US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 US disclosed
US-5595872-A DNA SEQUENCES, CELLS AND EXPRESSION VECTORS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-21 US disclosed
EP-0643057-A1 Inhibitors of microsomal triglyceride transfer protein BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-15 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-20030166590-A1 Microsomal triglyceride transfer protein MTTP, CETP, HDLBP LMNA 1381/4885HTR2A 4506/4885TAAR1 1834/4885
US-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C LMNA 1847/4885HTR2A 735/4885TAAR1 3613/4885

“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.