SCHEMBL4595449

SCHEMBL4595449

CC(C)(C)c1cc(C(CCc2ccccc2)C(=O)c2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
AGTR1 P30556 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TNFRSF1A P19438 1/20 0.41
HPGD P15428 1/20 0.41
F2R P25116 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNB1 Q02641 1/20 0.41
MAOB P27338 4/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL6633302 0.90 GAA (0.47) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL4595499 0.85 ELANE (0.49) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL4593922 0.82 ELANE (0.45) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL11822391 0.79 LMNA (0.50) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4595692 0.78 GAA (0.44) GAALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL1792855 0.77 MEN1 (0.47) GAAMEN1KMT2ATNFRSF1AF2R
SCHEMBL8827076 0.76 CES2 (0.56) GAALMNAHTTSMN1; SMN2ALDH1A1
Methane SCHEMBL28978438 0.76 MEN1 (0.46) GAAMEN1KMT2ATNFRSF1AF2R
SCHEMBL31266976 0.75 L3MBTL1 (0.61) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL4594767 0.75 ALDH1A1 (0.43) GAALMNAHTTSMN1; SMN2ALDH1A1

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 PRSS1 2330/4885CTSG 4382/4885CTRB1 1403/4885

“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.