SCHEMBL3816886

SCHEMBL3816886

CC(C)(C)Oc1ccnc(OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ RIPK1 Q13546 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ HASPIN Q8TF76 1/20 0.35
▸ ACVR2A P27037 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ LOX P28300 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ NUDT1 P36639 1/20 0.31
▸ PLAU P00749 1/20 0.30

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
SCHEMBL17471315 0.88 LOX (0.46) CCR1CCR5CCR8RIPK1KIF11
SCHEMBL18467784 0.79 UHRF1 (0.46) CCR1CCR5CCR8RIPK1KIF11
SCHEMBL19678810 0.79 ASIC3 (0.38) RIPK1NOS3NOS1NOS2ACVR2A
SCHEMBL16231402 0.79 UHRF1 (0.46) CCR1CCR5CCR8NOS3NOS1
SCHEMBL14840716 0.78 CCR1 (0.36) CCR1CCR5CCR8RIPK1KIF11
SCHEMBL21105270 0.78 LMNA (0.37) CCR1CCR5CCR8RIPK1KIF11
SCHEMBL17471314 0.78 NOS3 (0.38) CCR1CCR5CCR8RIPK1KIF11
SCHEMBL14352975 0.78 KDM4E (0.37) ACVR2ATGFBR2LOXLOXL2NUDT1
SCHEMBL16230689 0.78 KIF11 (0.35) KIF11NOS3NOS2ACVR2ATGFBR2
SCHEMBL18372377 0.77 CYP3A4 (0.46) KIF11

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 CCR1 3420/4885CCR5 3126/4885CCR8 4021/4885

“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.

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