SCHEMBL7225524

SCHEMBL7225524

[CH2][C@H](O)c1ccccc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.37
ABCB1 P08183 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
PBRM1 Q86U86 1/20 0.36
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL476005 1.00 CES2 (0.39) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL12714331 0.83 CES2 (0.41) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL11809743 0.81 KDM4E (0.41) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL1635308 0.80 GABRA1 (0.50) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL29567244 0.80 GABRA1 (0.50) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL13304309 0.79 CYP3A4 (0.38) CES2CES1LMNAALDH1A1KDM4E
Hydrogen Peroxide SCHEMBL1652481 0.78 GABRA1 (0.48) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL965996 0.78 LMNA (0.48) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL378837 0.78 LMNA (0.48) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL31681943 0.78 LMNA (0.48) CES2CES1LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212062-A1 Morpholinone and morpholine derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-11-13 US disclosed
US-6531471-B2 Antagonists for human alpha 1a receptors; lowering intraocular pressure; inhibiting cholesterol synthesis; relaxing lower urinary tract tissue; treatment of benign prostatic hyperplasia, impotency, cardiac arrhythmia, etc. SYNAPTIC PHARMACEUTICAL CORPORATION 2003-03-11 US disclosed
US-20020068737-A1 Morpholinone and morpholine derivatives and uses thereof SYNAPTIC PHARAMCEUTICAL CORPORATION 2002-06-06 US disclosed
US-6362182-B1 HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; BENIGN PROSTATIC HYPERTROPIC SYNAPTIC PHARMACEUTICAL CORPORATION 2002-03-26 US disclosed
EP-1140876-A1 MORPHOLINONE AND MORPHOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-10-10 EP disclosed
US-6218390-B1 FOR LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, RELAXING LOWER URINARY TRACT TISSUE, THERAPY OF BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, CARDIAC ARRHYTHMIA, SYMPATHETIC MEDIATED PAIN, MIGRAINE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 US disclosed
WO-2000035891-A1 MORPHOLINONE AND MORPHOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-06-22 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 (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-20020068737-A1 Morpholinone and morpholine derivatives and uses thereof ADRA1D, ADRA1A, ADRB1 CES2 4166/4885CES1 1332/4885LMNA 1010/4885
US-20030212062-A1 Morpholinone and morpholine derivatives and uses thereof ADRA1D, ADRA1A, ADRB1 CES2 4166/4885CES1 1332/4885LMNA 1010/4885

“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.