SCHEMBL2045176

SCHEMBL2045176

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 3/20 0.41
ABCC4 O15439 1/20 0.41
CYP3A4 P08684 3/20 0.40
RECQL P46063 2/20 0.40
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
FAAH O00519 3/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL2047122 1.00 ALDH1A1 (0.51) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL731077 0.99 ALDH1A1 (0.49) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL27734590 0.99 ALDH1A1 (0.49) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL2044501 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL2044500 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL732930 0.84 ALDH1A1 (0.47) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL2431239 0.78 ALDH1A1 (0.44) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL18882155 0.78 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP3A4RECQL
SCHEMBL30170128 0.77 CNR1 (0.36) RECQLFAAHMEN1KMT2A
SCHEMBL13389921 0.77 ALDH1A1 (0.50) ALDH1A1LMNAMAPTABCC4CYP3A4

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 623/4885LMNA 3735/4885MAPT 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.