SCHEMBL2044501

SCHEMBL2044501

C=CCCCCCC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ABCC4 O15439 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
FAAH O00519 6/20 0.46
SLC6A5 Q9Y345 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NOD1 Q9Y239 1/20 0.37
ASAH2 Q9NR71 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 2/20 0.36

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
SCHEMBL2044500 1.00 ALDH1A1 (0.50) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL732930 0.98 ALDH1A1 (0.47) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL2045176 0.85 ALDH1A1 (0.51) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL2047122 0.85 ALDH1A1 (0.51) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL15623787 0.85 FAAH (0.42) ALDH1A1FAAHMEN1KMT2ANOD1
SCHEMBL731077 0.84 ALDH1A1 (0.49) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL27734590 0.84 ALDH1A1 (0.49) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL6562409 0.81 FAAH (0.66) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL8515118 0.81 FAAH (0.58) ALDH1A1FAAHSLC6A5MEN1KMT2A
SCHEMBL15680129 0.80 PLA2G2C (0.42) ALDH1A1LMNAFAAHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL ALDH1A1 623/4885ABCC4 792/4885MAPT 4108/4885

“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.