SCHEMBL7102593

SCHEMBL7102593

CCOC(=O)c1cccc(NC(=O)CCCCCc2ccccc2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.83
POLB P06746 3/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 4/20 0.65
HPGD P15428 2/20 0.65
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.61
NPSR1 Q6W5P4 1/20 0.60
TSHR P16473 1/20 0.60
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 1/20 0.55
MAPK1 P28482 1/20 0.54
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54

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
SCHEMBL5089008 0.84 MAPT (0.71) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL7147082 0.84 SMN1; SMN2 (0.64) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL8468277 0.84 KMT2A (0.65) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL6579892 0.81 NPC1 (0.60) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL8113896 0.80 NPC1 (0.61) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL2836732 0.79 ALDH1A1 (1.00) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL14266467 0.79 KMT2A (0.77) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL10137685 0.79 RAB9A (0.73) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL28099312 0.78 MAPT (0.74) MAPTALDH1A1RAB9ANPC1CYP3A4
SCHEMBL4658103 0.78 GAA (0.69) MAPTPOLBALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP disclosed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US disclosed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 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-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use PPIG, PIN1, PPIH MAPT 1168/4885POLB 1913/4885KMT2A 4656/4885

“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.