SCHEMBL4594767

SCHEMBL4594767

CN(C)C(CCc1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CACNA1A O00555 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNB1 Q02641 1/20 0.38
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL6632829 0.89 GAA (0.46) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4595692 0.81 GAA (0.44) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4594467 0.77 ALDH1A1 (0.44) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL9855739 0.75 GAA (0.57) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4594734 0.75 CYP1A2 (0.41) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4595449 0.75 PRSS1 (0.43) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4594217 0.74 ALDH1A1 (0.41) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL9577049 0.73 TSHR (0.48) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL4880979 0.73 TSHR (0.47) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL10024140 0.73 GAA (0.43) ALDH1A1TSHRGAALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417209-B1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORP (US) 2008-01-16 EP claimed
EP-1417209-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS Crompton Corporation (US) 2004-05-12 EP claimed
US-20030065177-A1 High boiling inhibitors for distillable, polymerizable monomers CROMPTON CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-04-03 US claimed
WO-2003014130-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORPORATION (US) 2003-02-20 WO claimed
US-6475347-B1 High boiling inhibitors for distillable, polymerizable monomers CROMPTON CORPORATION 2002-11-05 US claimed
EP-1417209-B1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORP (US) 2008-01-16 EP disclosed
EP-1417209-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS Crompton Corporation (US) 2004-05-12 EP disclosed
US-20030065177-A1 High boiling inhibitors for distillable, polymerizable monomers CROMPTON CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-04-03 US disclosed
WO-2003014130-A1 HIGH BOILING INHIBITORS FOR DISTILLABLE, POLYMERIZABLE MONOMERS CROMPTON CORPORATION (US) 2003-02-20 WO disclosed
US-6475347-B1 High boiling inhibitors for distillable, polymerizable monomers CROMPTON CORPORATION 2002-11-05 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-20030065177-A1 High boiling inhibitors for distillable, polymerizable monomers ROS1, POLR1A, ACP1 ALDH1A1 1573/4885TSHR 4270/4885GAA 3602/4885

“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.