SCHEMBL6535530

SCHEMBL6535530

CCOC(=O)C(C(=O)OCC)C(CC#N)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 4/20 0.42
ALPG P10696 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
CASP3 P42574 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 2/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
PPARG P37231 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL11442350 0.86 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL7739376 0.85 MMP8 (0.47) SMN1; SMN2KMT2AMEN1GAA
SCHEMBL7737117 0.80 SMN1; SMN2 (0.46) ALDH1A1LMNASMN1; SMN2TDP1ALPG
SCHEMBL28269367 0.80 EPHX2 (0.41) ALDH1A1LMNASMN1; SMN2TDP1MAPT
Hydrochloric Acid SCHEMBL7775055 0.77 MAPT (0.40) ALDH1A1LMNASMN1; SMN2TDP1MAPT
SCHEMBL360667 0.76 SMN1; SMN2 (0.51) ALDH1A1LMNASMN1; SMN2TDP1MAPT
SCHEMBL17396664 0.76 EPHX1 (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6576846 0.74 SMN1; SMN2 (0.44) ALDH1A1LMNASMN1; SMN2TDP1MAPT
SCHEMBL8423984 0.74 SMN1; SMN2 (0.46) ALDH1A1LMNASMN1; SMN2TDP1MAPT
SCHEMBL11336684 0.74 SLC2A1 (0.38) ALDH1A1LMNASMN1; SMN2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010053862-A1 Process for preparing arylpiperidine carbinol intermediates and derivatives PENTECH PHARMACEUTICALS, INC. 2001-12-20 US claimed
EP-1140832-A4 PROCESS FOR PREPARING ARYLPIPERIDINE CARBINOL INTERMEDIATES AND DERIVATIVES PENTECH PHARMACEUTICALS INC (US) 2004-11-03 EP disclosed
WO-2002076940-A2 PROCESS FOR PREPARING ARYLPIPERIDINE CARBINOL INTERMEDIATES AND DERIVATIVES PENTECH PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-20010053862-A1 Process for preparing arylpiperidine carbinol intermediates and derivatives PENTECH PHARMACEUTICALS, INC. 2001-12-20 US disclosed
EP-1140832-A1 PROCESS FOR PREPARING ARYLPIPERIDINE CARBINOL INTERMEDIATES AND DERIVATIVES PENTECH PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
EP-1124802-A1 PROCESS FOR PRODUCING 4-ARYLPIPERIDINE-3-CARBINOLS AND RELATED COMPOUNDS Synthon B.V. (NL) 2001-08-22 EP disclosed
WO-2000037443-A1 PROCESS FOR PREPARING ARYLPIPERIDINE CARBINOL INTERMEDIATES AND DERIVATIVES PENTECH PHARMACEUTICALS, INC. (US) 2000-06-29 WO disclosed
WO-2000026187-A1 PROCESS FOR PRODUCING 4-ARYLPIPERIDINE-3-CARBINOLS AND RELATED COMPOUNDS SYNTHON B.V. (NL) 2000-05-11 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-20010053862-A1 Process for preparing arylpiperidine carbinol intermediates and derivatives ADH1C, CBR1, MAL2 ALDH1A1 76/4885LMNA 574/4885SMN1; SMN2 4562/4885

“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.