SCHEMBL3824044

SCHEMBL3824044

CC(C)(C)Oc1ccc(OC(C)(C)C)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RIPK1 Q13546 1/20 0.34
ABL1 P00519 1/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
KIF11 P52732 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL27775336 0.88 KDM4E (0.41) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL6764305 0.88 NNMT (0.42) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL24244781 0.84 MAPT (0.46) KDM4EPOLBRAB9ACYP4F2CYP4A11
SCHEMBL24244791 0.80 GPR119 (0.41) ABL1
SCHEMBL12364150 0.78 CCR1 (0.44) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL1496791 0.78 KDM4E (0.56) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL13019890 0.78 KMT2A (0.40) KMT2ARIPK1ABL1
SCHEMBL12526435 0.77 SLC6A2 (0.41) KDM4EPOLBRAB9A
SCHEMBL19229876 0.77 MEN1 (0.42) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL23589790 0.77 RAB9A (0.50) KDM4EPOLBRAB9AKMT2AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 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-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 KDM4E 1445/4885POLB 441/4885RAB9A 3549/4885

“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.