SCHEMBL4594467

SCHEMBL4594467

CCCCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 3/20 0.44
TSHR P16473 3/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 2/20 0.43
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
IDH1 O75874 1/20 0.37
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
XBP1 P17861 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL4594217 0.94 ALDH1A1 (0.41) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL27938085 0.78 CA2 (0.42) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL4594767 0.77 ALDH1A1 (0.43) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL5709911 0.74 KCNH2 (0.45) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL10081832 0.74 CA2 (0.42) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL21925352 0.74 CA2 (0.42) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL28763161 0.74 CA2 (0.42) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL14976954 0.73 CA2 (0.41) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL11805953 0.73 CA2 (0.41) ALDH1A1LMNAGAATSHRCYP1A2
SCHEMBL10775543 0.73 CA2 (0.41) ALDH1A1LMNAGAATSHRCYP1A2

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 1573/4885LMNA 2386/4885GAA 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.