SCHEMBL4595692

SCHEMBL4595692

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 4/20 0.43
TSHR P16473 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
RIPK1 Q13546 1/20 0.42
ADRB2 P07550 3/20 0.41
CACNA1A O00555 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNB1 Q02641 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL6632193 0.88 RIPK1 (0.50) GAAMEN1KMT2ACYP3A4TSHR
SCHEMBL4594767 0.81 ALDH1A1 (0.43) GAAMEN1KMT2ACYP3A4TSHR
SCHEMBL9855739 0.79 GAA (0.57) GAAMEN1KMT2ACYP3A4TSHR
SCHEMBL9464316 0.78 GAA (0.46) GAAMEN1KMT2ACYP3A4TSHR
SCHEMBL4594734 0.78 CYP1A2 (0.41) GAAMEN1KMT2ACYP3A4TSHR
SCHEMBL4595449 0.78 PRSS1 (0.43) GAAMEN1KMT2ACYP3A4TSHR
SCHEMBL11726564 0.78 GAA (0.47) GAAMEN1KMT2ACYP3A4TSHR
SCHEMBL30849677 0.76 RIPK1 (0.50) GAAMEN1KMT2ACYP3A4TSHR
SCHEMBL14839517 0.76 RIPK1 (0.50) GAAMEN1KMT2ACYP3A4TSHR
SCHEMBL4594031 0.76 CYP1A2 (0.40) GAAMEN1KMT2ACYP3A4TSHR

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 5 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 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 GAA 3602/4885MEN1 1386/4885KMT2A 2797/4885

“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.